data_1zad_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 1zad _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -103.84 113.3 26.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 m -110.52 144.9 38.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 108.273 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -97.97 169.72 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.467 ' CE ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.7 -156.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 tp -50.86 -37.29 42.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.6 t -105.76 129.57 24.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.63 55.33 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.167 0 N-CA-C 120.183 3.109 . . . . 0.0 120.183 163.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.2 tp -134.87 -47.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.467 ' HB2' ' CE ' ' A' ' 5' ' ' LYS . . . -110.34 131.43 55.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.481 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 35.6 p90 -147.4 157.22 43.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.09 -178.36 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.3 121.99 28.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.7 m -69.5 106.05 1.36 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -59.59 -174.83 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.204 0 N-CA-C 120.067 3.064 . . . . 0.0 120.067 -165.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -54.81 124.38 16.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.49 -40.6 2.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -115.68 107.92 15.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 0.721 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -121.96 15.49 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.249 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.4 mt -121.4 143.22 49.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.452 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -115.75 131.84 56.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.241 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.6 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 4.3 p90 -131.12 162.15 30.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.465 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -145.9 114.64 6.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.6 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -90.41 129.02 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 111.026 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.643 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 82.4 m-85 -112.44 121.78 45.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 110.965 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.548 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.5 OUTLIER -84.19 153.09 23.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.988 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.89 -67.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.052 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -148.4 159.03 44.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -100.19 -34.7 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.5 mt -42.98 -27.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.436 ' N ' ' C ' ' A' ' 29' ' ' ASP . 55.9 p -89.99 -154.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.465 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -98.03 145.46 29.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.643 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 56.4 Cg_endo -63.12 -173.1 0.15 Allowed 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -171.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 24' ' ' MET . 4.7 m -126.36 -43.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -148.45 150.43 33.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.428 1.08 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.74 131.72 2.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 110.269 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.36 -152.08 5.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.6 m -108.37 164.76 12.04 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 tt -165.36 175.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -109.05 -39.25 5.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -135.08 128.99 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.09 119.49 56.01 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 108.339 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -61.37 171.5 4.17 Favored 'Trans proline' 0 CA--C 1.567 2.151 0 N-CA-C 120.101 3.077 . . . . 0.0 120.101 164.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -75.14 126.42 30.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 46' ' ' SER . 40.9 t30 -75.41 165.44 25.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.423 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 86.8 p -127.29 -179.55 4.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.024 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.9 -21.13 20.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.37 -27.1 24.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 t -131.19 160.32 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -122.16 117.68 26.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.55 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 6.3 m-85 -93.85 106.08 18.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.074 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.23 99.34 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 88.8 m -94.32 154.89 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.346 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.42 173.35 16.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -135.91 20.31 3.26 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.494 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 41.6 p -105.08 140.35 38.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 1.146 . . . . 0.0 110.351 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -62.7 123.39 18.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.481 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 21.0 mtp180 70.52 38.54 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.263 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.9 p -76.43 -38.66 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 108.266 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.465 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 35.4 p-10 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -103.54 119.04 38.12 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -117.01 149.08 40.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 108.297 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -95.33 158.83 15.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.489 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -87.19 -156.82 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.495 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 6.3 tp -50.66 -30.61 14.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.5 t -111.18 132.32 21.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -60.51 55.05 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.082 3.07 . . . . 0.0 120.082 162.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.401 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 6.5 tp -143.08 -51.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.489 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -97.94 126.69 43.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.221 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -146.77 152.74 39.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -136.1 -176.94 4.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.32 119.23 25.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.8 m -67.65 104.61 0.69 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 108.259 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -58.26 -174.88 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.193 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -167.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -54.92 125.95 22.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.89 -40.05 2.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.088 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -116.41 99.11 6.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -118.44 23.97 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.6 mt -129.22 140.74 51.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.462 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.7 m -112.5 129.93 56.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.351 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 3.5 p90 -128.07 166.64 18.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -145.96 120.88 9.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.584 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 36.3 mtm -89.38 127.48 35.82 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 55.3 m-85 -113.2 112.8 24.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' SER . 1.1 tmm? -85.02 156.82 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.23 -80.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.154 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.9 m -140.01 133.78 30.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -76.57 -25.81 54.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.5 mt -42.28 -28.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 29' ' ' ASP . 80.5 p -105.72 173.38 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.93 149.19 18.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.59 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 60.2 Cg_endo -65.54 -172.04 0.23 Allowed 'Trans proline' 0 CA--C 1.567 2.158 0 N-CA-C 120.112 3.082 . . . . 0.0 120.112 -177.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 35' ' ' LYS . 15.6 m -123.06 -41.8 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' N ' HG23 ' A' ' 34' ' ' VAL . 0.8 OUTLIER -145.28 155.87 43.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.495 ' CZ ' ' O ' ' A' ' 6' ' ' LEU . 4.0 ptp180 -167.08 134.28 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.365 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.43 -159.15 9.86 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.449 1.093 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -105.12 165.66 10.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 tt -165.57 175.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -111.98 -35.71 5.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.5 t -135.62 128.71 47.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.68 119.31 56.29 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 108.317 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -64.5 161.77 33.7 Favored 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.06 3.061 . . . . 0.0 120.06 164.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.19 125.54 29.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.467 ' ND2' ' HA ' ' A' ' 50' ' ' LYS . 45.0 t30 -75.86 165.2 25.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.6 p -114.35 -176.44 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.08 -2.2 56.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.93 -22.28 12.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.401 ' O ' ' OD1' ' A' ' 45' ' ' ASN . 19.5 t -127.46 167.0 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -136.92 108.32 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.584 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.8 m-85 -84.6 135.76 34.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 11.1 t -129.39 97.14 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.2 m -93.94 151.79 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.76 170.98 20.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 108.356 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -131.07 26.04 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.453 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 73.1 p -111.85 138.38 48.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 110.388 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.32 120.14 9.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 72.94 40.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.322 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 2.9 p -75.72 -35.95 60.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 108.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 42.1 p-10 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -110.69 114.18 27.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.407 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 5.5 m -109.59 146.96 33.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 108.297 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -106.39 163.82 12.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.418 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -87.46 -159.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.362 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tt -50.0 -33.03 16.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.448 ' CG1' HG21 ' A' ' 9' ' ' ILE . 72.1 t -113.69 127.53 26.72 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -60.15 41.07 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.137 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 164.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.448 HG21 ' CG1' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -115.89 -33.02 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.442 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -128.38 132.76 48.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -152.57 155.61 37.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.69 -173.74 3.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.24 124.03 32.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.407 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.407 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 91.8 m -68.5 104.1 0.64 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 108.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -58.88 -175.08 0.08 OUTLIER 'Trans proline' 0 CA--C 1.569 2.238 0 N-CA-C 120.085 3.071 . . . . 0.0 120.085 -164.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -55.1 125.34 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.72 -38.76 3.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -114.88 106.24 13.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -120.42 10.9 11.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.3 mt -118.45 141.52 48.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.441 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -115.22 126.82 55.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.603 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 7.8 p90 -122.74 163.47 20.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.466 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -146.05 113.76 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.2 mpp? -89.99 129.25 36.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.63 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 46.2 m-85 -112.44 121.81 45.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' SER . 1.5 tmm? -84.38 154.8 22.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 62.05 -69.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.6 m -150.04 150.44 31.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.056 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.3 OUTLIER -94.65 -22.18 18.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.9 mt -45.68 -26.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 29' ' ' ASP . 71.8 p -101.62 -157.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.19 148.14 46.74 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.63 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 58.2 Cg_endo -64.66 -173.52 0.24 Allowed 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 -175.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 24' ' ' MET . 4.8 m -122.01 -43.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -149.07 153.11 37.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -165.89 134.79 3.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.51 -158.65 8.79 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 6.6 m -102.4 163.49 12.2 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 tt -163.49 174.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.23 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -110.62 -35.9 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.4 t -137.11 127.55 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.97 117.72 38.76 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 0.0 108.343 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -62.37 171.87 4.92 Favored 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.119 3.084 . . . . 0.0 120.119 166.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -75.35 126.64 31.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 46' ' ' SER . 38.9 t30 -75.39 165.04 25.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.421 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 86.2 p -123.4 178.88 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.551 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -90.65 -16.42 28.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.369 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.42 -32.1 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.0 t -123.77 165.62 20.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.609 1.193 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -127.2 113.61 16.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.9 m-85 -89.29 103.12 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.422 HG21 ' CD1' ' A' ' 25' ' ' PHE . 2.1 t -106.17 101.5 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 84.2 m -94.08 152.98 18.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 108.263 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.47 167.92 28.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -130.56 24.16 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 11.2 p -106.55 136.5 46.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 15.8 m-20 -62.21 118.86 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER 77.24 35.26 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 56' ' ' THR . 4.7 p -75.83 -36.77 59.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.168 . . . . 0.0 108.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.466 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 55.0 p30 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -107.24 111.86 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 m -110.81 147.13 35.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -99.84 163.31 12.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -87.81 -162.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tt -49.42 -25.92 2.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.47 ' CG1' HG22 ' A' ' 9' ' ' ILE . 78.1 t -113.77 126.58 27.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.67 48.62 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.155 0 N-CA-C 120.109 3.08 . . . . 0.0 120.109 163.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.47 HG22 ' CG1' ' A' ' 7' ' ' VAL . 6.8 tp -131.65 -46.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.452 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -108.85 129.36 55.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -149.35 152.12 35.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -134.73 -173.73 3.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.78 124.48 31.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.8 m -68.38 107.32 1.86 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 108.274 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -59.41 -174.78 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.223 0 N-CA-C 120.074 3.067 . . . . 0.0 120.074 -165.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.5 128.91 34.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.83 -38.67 3.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.15 106.72 15.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -123.15 15.14 9.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.4 mt -122.59 142.71 50.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -112.05 136.33 51.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 108.29 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.603 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 2.6 p90 -135.45 160.24 39.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 22.5 pttt -145.89 113.33 6.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.9 mpp? -88.82 134.66 33.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 32.1 m-85 -118.35 120.14 36.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.08 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.509 ' O ' ' N ' ' A' ' 28' ' ' SER . 1.1 tmm? -87.2 154.47 20.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.2 mtt 61.39 -72.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.7 m -145.63 144.91 30.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -91.04 -21.71 21.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.087 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.7 mt -43.47 -27.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.422 ' N ' ' C ' ' A' ' 29' ' ' ASP . 43.3 p -108.17 -178.68 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 110.463 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.52 143.25 98.56 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.234 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.3 Cg_endo -65.26 -166.3 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.146 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -171.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 m -117.68 -45.34 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.083 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -147.62 153.3 39.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.43 ' HD3' ' ND2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -166.22 131.88 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.8 -153.9 6.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.7 m -106.12 165.77 10.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 tt -165.4 174.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -109.95 -34.68 6.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.9 t -141.38 128.2 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.92 119.95 62.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 108.346 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -62.73 174.56 2.84 Favored 'Trans proline' 0 CA--C 1.568 2.205 0 N-CA-C 120.13 3.088 . . . . 0.0 120.13 164.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.55 128.52 35.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 46' ' ' SER . 40.9 t30 -75.68 165.66 24.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 79.4 p -123.25 178.13 5.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -23.21 20.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.74 -26.82 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.1 t -126.53 163.43 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -127.02 114.97 18.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.562 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.5 m-85 -90.71 110.02 21.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.407 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 2.5 t -109.88 96.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 87.1 m -94.66 152.81 18.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 108.305 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -155.34 170.56 21.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 108.334 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 -133.02 30.18 4.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.491 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.3 p -114.53 140.44 48.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -62.6 122.64 16.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 69.45 37.89 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.223 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 56' ' ' THR . 5.0 p -75.63 -37.31 59.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.303 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.463 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 39.4 p-10 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -105.48 105.58 15.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 m -100.93 146.99 26.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 108.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.6 OUTLIER -100.14 172.2 7.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 3.9 mttp -92.17 -158.26 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 tp -49.74 -38.56 34.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.9 t -106.27 133.57 20.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.68 58.93 0.12 Allowed 'Trans proline' 0 CA--C 1.569 2.227 0 N-CA-C 120.086 3.072 . . . . 0.0 120.086 162.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -133.84 -44.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.462 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -116.62 141.67 47.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -154.17 153.93 32.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.68 178.83 6.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.76 119.37 25.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.9 m -70.4 105.81 1.39 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.185 . . . . 0.0 108.324 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -59.89 -174.85 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.157 0 N-CA-C 120.146 3.095 . . . . 0.0 120.146 -168.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -54.94 128.31 32.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 110.23 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.06 -42.65 1.84 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -116.71 98.21 6.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.475 ' O ' ' CD1' ' A' ' 1' ' ' LEU . 26.1 t30 -115.58 18.32 15.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.4 mt -122.67 144.68 48.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.45 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -116.07 139.77 49.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 108.286 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.532 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 3.1 p90 -140.9 163.05 33.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -145.51 124.58 12.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.22 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.54 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -92.42 130.13 38.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.649 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.0 m-85 -115.4 118.23 32.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.535 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.9 OUTLIER -86.5 156.54 20.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.3 mtp 57.3 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.6 m -138.17 143.19 40.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.077 . . . . 0.0 110.012 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -89.45 -23.33 22.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.3 mt -43.16 -27.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.243 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.416 ' N ' ' C ' ' A' ' 29' ' ' ASP . 69.0 p -107.1 177.32 4.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.557 1.161 . . . . 0.0 110.436 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.8 149.14 23.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.649 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.0 Cg_endo -65.16 -172.36 0.22 Allowed 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 3.6 m -119.56 -44.47 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -149.43 162.06 40.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.507 ' CZ ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.19 163.68 17.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.351 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.405 ' HA2' ' NH1' ' A' ' 36' ' ' ARG . . . 175.98 -171.92 44.94 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.415 1.072 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -94.8 165.69 12.35 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 tt -165.47 174.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -112.52 -31.67 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.8 t -139.41 127.8 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 t -64.66 119.09 54.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -62.37 169.07 8.57 Favored 'Trans proline' 0 CA--C 1.567 2.15 0 N-CA-C 120.153 3.097 . . . . 0.0 120.153 165.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -74.28 125.04 27.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -75.57 165.73 24.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.219 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 p -122.99 -167.55 1.61 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 109.911 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.5 -36.76 9.08 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -78.93 -7.87 58.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 t -142.44 163.4 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.241 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -133.01 123.25 25.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.54 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.7 m-85 -99.01 121.81 41.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 t -119.49 98.62 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.4 m -94.29 150.07 20.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 108.329 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.96 171.21 20.08 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.124 . . . . 0.0 108.336 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -133.92 24.58 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.494 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.2 p -107.01 138.63 42.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.364 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -62.71 120.68 11.7 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mtm-85 74.0 36.33 0.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 56' ' ' THR . 4.4 p -76.36 -32.73 58.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 108.341 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.421 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 37.6 p-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -106.95 120.61 42.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.6 m -112.37 152.98 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.44 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 3.0 m-20 -101.96 168.03 9.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.472 ' CE ' ' HB1' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -93.27 -160.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.496 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 0.9 OUTLIER -51.35 -35.88 40.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.2 t -104.08 131.08 22.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -59.94 52.77 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.199 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 163.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.0 tp -137.71 -46.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.472 ' HB1' ' CE ' ' A' ' 5' ' ' LYS . . . -103.72 130.7 51.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.44 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 48.2 p90 -155.49 144.52 20.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.62 -171.44 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.66 128.88 34.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.389 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.3 m -64.99 117.24 37.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -59.26 -174.92 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.134 3.09 . . . . 0.0 120.134 -169.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -55.15 112.02 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.256 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.44 -38.44 3.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.0 mttt -105.19 110.75 23.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -118.36 -25.63 6.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.436 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 6.2 mt -94.23 151.86 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.458 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -115.36 149.21 38.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 108.259 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.584 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 2.9 p90 -145.33 160.19 41.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HB3' ' CB ' ' A' ' 36' ' ' ARG . 3.4 pttt -145.94 116.21 7.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.064 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -92.28 131.51 37.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.623 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 36.2 m-85 -112.66 123.6 50.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' SER . 1.2 tmm? -83.54 156.01 23.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 mmt 55.08 -82.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.3 m -127.59 148.9 50.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -100.61 -19.61 16.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.244 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.6 mt -45.27 -26.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 29' ' ' ASP . 60.4 p -106.31 -168.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.378 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.407 HG21 ' N ' ' A' ' 33' ' ' PRO . 0.6 OUTLIER -66.94 150.16 98.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.623 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.9 Cg_endo -65.95 -171.68 0.23 Allowed 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.151 3.097 . . . . 0.0 120.151 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 m -121.42 -43.58 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.87 155.8 41.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 6' ' ' LEU . 4.3 ptp180 -165.4 136.31 3.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.17 -159.69 8.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.431 ' CB ' ' HB3' ' A' ' 18' ' ' LYS . 22.0 m -106.05 163.02 13.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.5 tt -163.35 172.74 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -112.11 -28.32 8.03 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -142.95 127.06 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.4 t -64.07 118.47 46.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 108.312 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -64.7 173.15 5.92 Favored 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.143 3.094 . . . . 0.0 120.143 165.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -75.22 126.93 32.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 46' ' ' SER . 34.3 t30 -75.1 165.11 25.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 59.5 p -121.55 -179.23 4.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.79 -20.73 20.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.074 . . . . 0.0 109.313 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.4 -31.14 21.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.7 t -126.6 165.01 25.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -126.57 114.9 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.39 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.574 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.2 m-85 -87.35 113.5 23.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.2 t -113.74 99.15 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.9 m -94.42 152.07 18.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 108.318 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.68 172.33 18.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.26 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 23.8 p-10 -135.86 25.71 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.7 p -108.07 137.39 46.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.496 1.122 . . . . 0.0 110.381 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -61.9 118.16 6.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 75.86 37.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.24 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.7 p -75.76 -34.29 60.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.284 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.415 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 34.7 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -104.42 111.97 24.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.0 m -107.76 150.46 26.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 108.281 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -101.15 167.16 10.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.461 ' CE ' ' HB3' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -91.52 -154.42 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.1 tp -49.97 -41.9 47.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.2 t -106.82 139.34 20.28 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -60.75 49.7 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.199 0 N-CA-C 120.13 3.089 . . . . 0.0 120.13 162.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 10' ' ' ALA . 7.3 tp -129.1 -49.21 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.461 ' HB3' ' CE ' ' A' ' 5' ' ' LYS . . . -104.15 130.15 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.639 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 43.0 p90 -154.17 146.6 23.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -133.23 -175.46 3.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.15 123.31 31.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.453 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.1 m -69.56 109.68 5.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 108.347 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -59.04 -174.84 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.149 0 N-CA-C 120.03 3.05 . . . . 0.0 120.03 -168.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -54.85 129.17 36.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.223 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.43 -39.21 2.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.442 1.089 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.51 107.74 15.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -127.29 14.14 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.1 mt -119.43 139.81 51.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.478 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -109.76 140.18 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 108.361 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.611 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.1 p90 -139.06 159.88 41.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -145.44 114.19 6.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.611 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -91.63 133.77 35.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.64 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 51.3 m-85 -115.88 123.99 49.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -84.34 154.05 23.12 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 111.08 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 63.08 -67.6 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.7 m -152.06 151.94 31.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.963 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -89.98 -25.63 20.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.0 mt -45.27 -26.04 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.403 ' N ' ' C ' ' A' ' 29' ' ' ASP . 60.4 p -103.33 178.32 4.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.108 . . . . 0.0 110.388 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.47 148.16 98.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.64 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 57.8 Cg_endo -64.46 -172.97 0.2 Allowed 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.165 3.102 . . . . 0.0 120.165 -174.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.9 m -124.66 -44.55 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -144.34 151.59 39.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.68 132.51 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.406 1.066 . . . . 0.0 110.351 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.17 -163.9 13.38 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.2 m -96.06 166.14 11.91 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 tt -165.06 175.39 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -111.18 -35.39 5.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -140.08 128.43 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.96 119.52 55.79 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.463 1.102 . . . . 0.0 108.224 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -61.83 169.76 6.81 Favored 'Trans proline' 0 CA--C 1.568 2.201 0 N-CA-C 120.139 3.092 . . . . 0.0 120.139 164.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -75.15 126.07 30.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 49' ' ' VAL . 44.9 t30 -75.43 165.86 24.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' VAL . 59.8 p -129.32 178.76 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.06 -19.75 26.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.37 -38.85 21.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 50' ' ' LYS . 23.8 t -122.96 162.1 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' CD ' HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -123.73 116.5 23.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.58 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.6 m-85 -90.85 116.33 28.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.446 HG21 ' CD ' ' A' ' 50' ' ' LYS . 6.2 t -114.9 98.34 6.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 90.1 m -94.81 150.33 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.269 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.55 168.72 25.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 108.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -131.25 29.79 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.5 p -112.11 135.98 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.04 118.25 7.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.639 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 11.5 mtp180 76.39 36.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 56' ' ' THR . 2.6 p -76.03 -32.67 59.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 40.1 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -104.46 117.72 34.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.6 m -113.63 152.04 30.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -102.83 168.47 9.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.415 ' CE ' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -92.95 -160.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.513 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 5.3 tp -55.53 -23.77 28.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.233 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.4 t -114.96 119.23 39.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -57.51 47.56 0.05 OUTLIER 'Trans proline' 0 CA--C 1.569 2.246 0 N-CA-C 120.086 3.072 . . . . 0.0 120.086 166.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -128.08 -44.68 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.415 ' HB3' ' CE ' ' A' ' 5' ' ' LYS . . . -111.58 134.85 52.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -155.21 149.21 25.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -133.75 -173.84 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.61 126.43 33.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.373 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.0 m -66.42 108.16 2.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 108.253 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -61.92 -174.75 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.168 0 N-CA-C 120.096 3.076 . . . . 0.0 120.096 -172.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -55.28 116.17 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.247 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.99 -35.93 3.62 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -128.08 111.86 13.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -114.24 -22.72 9.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 8.7 mt -95.09 155.65 16.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.451 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 m -116.99 147.41 42.33 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.492 1.12 . . . . 0.0 108.359 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.57 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 5.9 p90 -143.76 159.46 42.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.597 1.185 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.481 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -145.84 113.99 6.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.362 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.57 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -89.42 132.58 34.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 47.5 m-85 -115.22 119.34 36.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.532 ' O ' ' N ' ' A' ' 28' ' ' SER . 1.2 tmm? -84.51 154.07 22.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 111.014 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 61.0 -72.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.4 m -141.63 154.61 45.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.26 -22.47 14.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.1 mt -45.8 -25.86 0.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.8 p -106.02 -175.66 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 110.418 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.0 146.24 98.11 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.5 Cg_endo -65.25 -167.63 0.1 Allowed 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.061 3.062 . . . . 0.0 120.061 -173.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 24' ' ' MET . 3.3 m -120.83 -44.22 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -147.12 154.08 40.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.513 ' CZ ' ' O ' ' A' ' 6' ' ' LEU . 3.6 ptp180 -165.79 131.14 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.46 -155.34 6.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.1 m -108.27 159.71 16.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 tt -160.48 177.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -114.25 -35.71 4.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.0 t -137.06 128.12 41.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -64.14 119.12 52.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 108.342 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -62.75 172.29 4.85 Favored 'Trans proline' 0 CA--C 1.567 2.135 0 N-CA-C 120.143 3.093 . . . . 0.0 120.143 164.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -75.21 126.3 30.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 46' ' ' SER . 37.3 t30 -75.25 165.25 25.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.424 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 66.5 p -121.3 178.07 4.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.973 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.34 -16.01 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -94.3 -24.44 17.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.5 t -130.06 165.16 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -127.4 116.17 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.501 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.3 m-85 -91.77 100.78 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.422 HG22 ' CD1' ' A' ' 25' ' ' PHE . 2.1 t -102.19 100.06 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.52 152.65 18.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.152 . . . . 0.0 108.233 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.49 169.58 23.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 108.303 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.457 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 3.5 p30 -132.94 23.18 4.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.9 p -104.95 137.46 42.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.401 1.063 . . . . 0.0 110.403 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -62.22 119.26 8.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 74.66 37.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.9 p -76.05 -36.06 59.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 108.292 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.481 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 36.1 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.17 114.34 28.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -109.4 151.2 26.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.333 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -101.26 162.34 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -86.11 -158.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.05 -39.47 42.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.3 t -102.99 133.5 20.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -60.58 56.03 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.199 0 N-CA-C 120.113 3.082 . . . . 0.0 120.113 162.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -138.07 -56.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.458 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -97.3 129.65 44.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.652 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 51.5 p90 -151.71 149.21 28.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -134.71 -175.85 4.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.01 128.85 34.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.415 1.072 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.0 m -74.24 110.42 9.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 108.264 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -60.33 -175.08 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.209 0 N-CA-C 120.154 3.098 . . . . 0.0 120.154 -170.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.07 124.4 16.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.355 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.9 -43.6 1.67 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.87 109.25 18.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.453 ' O ' ' CD1' ' A' ' 1' ' ' LEU . 64.2 t30 -127.05 19.11 7.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mt -126.33 136.01 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -106.26 131.0 54.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 4.8 p90 -129.97 164.65 23.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -146.12 112.9 6.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.414 1.071 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.481 ' HG2' ' CZ ' ' A' ' 51' ' ' TYR . 19.2 mtp -84.73 128.72 34.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 72.1 m-85 -112.34 116.98 31.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.49 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.4 OUTLIER -87.99 158.99 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.384 1.053 . . . . 0.0 111.003 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 54.95 -83.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.6 m -137.22 127.03 25.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.98 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -71.7 -22.93 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.9 mt -42.74 -27.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 29' ' ' ASP . 68.0 p -106.65 176.37 5.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.416 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.08 148.43 29.45 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.599 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 58.4 Cg_endo -64.41 -172.11 0.18 Allowed 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.166 3.102 . . . . 0.0 120.166 -177.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 6.5 m -121.81 -41.97 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -145.05 152.33 39.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.95 129.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 110.267 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.81 -156.59 8.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.561 1.163 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.2 m -101.99 163.56 12.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 tt -165.31 177.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -113.8 -36.29 4.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.6 p -132.92 132.07 59.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -64.75 119.85 61.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 108.311 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.563 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 31.2 Cg_exo -57.9 163.29 9.66 Favored 'Trans proline' 0 CA--C 1.567 2.129 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 165.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -75.46 141.16 43.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.453 ' OD1' ' HB2' ' A' ' 51' ' ' TYR . 4.1 m-20 -73.82 -173.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.1 p -150.25 -178.34 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -97.68 -2.78 40.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.483 ' C ' ' CG2' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -128.49 7.22 5.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.383 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.483 ' CG2' ' C ' ' A' ' 48' ' ' LEU . 1.4 t -153.31 163.78 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.07 118.35 8.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 43' ' ' PRO . 11.8 m-85 -92.82 128.62 38.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 6.4 t -121.63 96.12 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 45.0 m -93.78 153.04 18.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.294 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.98 173.72 16.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -131.2 22.28 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.453 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 41.1 p -107.75 138.08 44.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' N ' HD21 ' A' ' 1' ' ' LEU . 14.3 m-20 -61.21 120.61 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.652 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 23.2 mtp180 71.73 40.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.348 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.2 p -75.6 -35.64 60.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.277 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 44.7 p30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -107.88 110.08 21.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.1 m -106.2 149.18 27.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.076 . . . . 0.0 108.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -104.67 166.75 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -160.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tp -49.67 -33.07 14.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.601 1.188 . . . . 0.0 109.275 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.411 ' CG1' HG23 ' A' ' 9' ' ' ILE . 63.3 t -112.82 123.35 33.95 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -58.71 42.13 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.078 3.068 . . . . 0.0 120.078 166.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.449 HG21 ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -116.94 -33.32 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.449 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -127.47 130.45 49.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 5.5 p90 -148.81 157.01 43.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.964 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.02 -177.61 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.86 125.29 32.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.558 1.161 . . . . 0.0 110.449 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.6 m -75.15 106.45 2.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 108.346 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -61.32 -175.03 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.177 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 -168.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -55.49 120.23 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.46 -41.56 1.96 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -124.65 104.53 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 0.0 109.212 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -118.63 21.79 12.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.9 mt -127.27 135.85 51.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.463 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -107.23 126.21 52.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.3 p90 -124.34 160.36 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HB3' ' CB ' ' A' ' 36' ' ' ARG . 7.5 pttt -145.18 111.79 5.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.592 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.3 mpp? -84.69 133.4 34.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 7.0 m-85 -117.96 116.81 27.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -86.77 155.47 20.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.95 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.47 ' C ' ' O ' ' A' ' 26' ' ' MET . 0.2 OUTLIER 30.45 87.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.8 m 65.65 139.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -103.03 -12.39 17.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.8 mt -45.08 -26.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' ASP . 36.1 p -102.07 177.43 4.89 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.579 1.175 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.72 140.07 96.16 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.575 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 38.4 Cg_endo -58.32 -170.03 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 120.106 3.079 . . . . 0.0 120.106 -171.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m -114.44 -46.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.29 156.62 43.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.426 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -166.09 128.93 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.09 -154.91 6.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -106.29 164.12 12.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.5 tt -165.49 175.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -104.63 -36.72 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.357 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 42' ' ' CYS . 94.0 t -141.36 141.24 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.428 ' N ' HG12 ' A' ' 41' ' ' VAL . 5.9 t -64.49 119.1 53.89 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 108.25 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.44 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 24.1 Cg_exo -60.7 -170.62 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.126 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 166.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -176.46 3.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -163.87 140.56 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.1 p -114.44 -172.66 2.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.22 -11.05 53.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.75 -36.2 17.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 t -120.37 167.26 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -137.29 107.2 6.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.588 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 6.3 m-85 -85.2 93.57 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.4 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 1.6 t -90.47 100.95 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 98.7 m -94.48 153.15 18.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 108.272 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -154.91 170.85 20.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 108.224 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -134.92 22.77 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.339 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 15.3 p -105.75 137.41 43.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 10.4 m-20 -62.32 118.21 7.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.41 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 3.3 mtt180 77.48 35.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.5 p -75.91 -36.97 59.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 48.2 p30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -109.47 116.82 32.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -112.07 142.93 43.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 108.247 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -96.1 165.01 12.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.483 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -88.11 -163.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 4.5 tp -49.29 -27.8 4.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.2 t -110.13 131.48 21.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -61.47 57.21 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.136 0 N-CA-C 120.071 3.066 . . . . 0.0 120.071 162.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -145.35 -50.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.365 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.483 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -99.59 126.98 45.68 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -148.79 161.5 41.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -145.23 -177.1 5.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.43 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -84.7 123.73 30.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.2 m -70.37 104.12 0.77 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 108.321 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -60.07 -174.85 0.1 OUTLIER 'Trans proline' 0 CA--C 1.568 2.186 0 N-CA-C 120.231 3.127 . . . . 0.0 120.231 -165.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -54.88 125.91 22.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.48 -43.9 1.58 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -111.95 101.66 9.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.372 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -118.06 23.56 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.425 1.078 . . . . 0.0 109.356 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.5 mt -129.88 139.34 51.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.1 m -109.57 131.03 55.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 108.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.527 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 3.4 p90 -130.42 161.73 30.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HG3' ' HB ' ' A' ' 52' ' ' VAL . 23.5 pttt -145.69 110.77 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.597 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -84.46 131.29 34.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.886 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.515 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 34.6 m-85 -115.4 119.27 35.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -85.44 155.94 21.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.9 mtp 59.06 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.8 m -140.67 145.31 36.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -90.79 -23.85 20.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.2 mt -42.71 -27.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.225 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 29' ' ' ASP . 53.8 p -108.45 177.85 4.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.36 144.73 77.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.515 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 61.3 Cg_endo -66.37 -165.98 0.1 Allowed 'Trans proline' 0 CA--C 1.567 2.163 0 N-CA-C 120.166 3.102 . . . . 0.0 120.166 -175.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 2.4 m -118.42 -46.92 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' CE ' ' HE1' ' A' ' 24' ' ' MET . 0.6 OUTLIER -146.53 156.04 42.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.434 ' NE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.03 135.82 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.7 -156.74 8.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.76 164.19 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.467 HD12 ' CG ' ' A' ' 43' ' ' PRO . 2.1 tt -165.43 175.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -108.42 -32.58 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.5 p -141.66 141.63 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.8 t -64.56 116.43 28.62 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.279 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.576 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 39.6 Cg_exo -57.12 -165.52 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.14 3.092 . . . . 0.0 120.14 170.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -176.43 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.09 129.8 2.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 49' ' ' VAL . 36.6 p -121.04 -171.33 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -91.06 -24.75 19.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.01 -26.42 48.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 46' ' ' SER . 2.0 t -128.88 167.76 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -140.34 118.61 12.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.597 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 9.3 m-85 -97.93 96.47 8.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.41 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 2.2 t -91.2 99.29 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 75.1 m -94.9 150.39 20.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 108.312 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.93 171.02 20.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 108.268 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -135.02 27.82 3.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.508 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 17.4 p -112.8 141.67 46.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -63.11 123.6 19.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 70.54 36.49 1.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.403 1.064 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 56' ' ' THR . 5.7 p -76.28 -38.7 55.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 108.279 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.423 ' ND2' ' HD3' ' A' ' 36' ' ' ARG . 40.9 p-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -107.72 114.88 29.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 m -112.14 151.2 29.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 108.272 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -99.6 163.98 12.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.478 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -90.03 -155.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -50.84 -42.16 58.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.3 t -102.98 133.56 20.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -60.9 56.88 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.125 0 N-CA-C 120.166 3.102 . . . . 0.0 120.166 162.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.5 tp -137.87 -55.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.478 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -100.54 129.22 46.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -147.28 153.48 39.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.72 -178.61 5.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.55 126.05 33.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.0 m -73.82 110.88 10.16 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 108.323 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -59.18 -174.79 0.08 OUTLIER 'Trans proline' 0 CA--C 1.569 2.239 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 -168.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -54.74 127.24 27.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.65 -39.4 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -109.13 88.48 2.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -112.64 20.52 16.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.0 mt -126.31 144.48 50.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.482 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.2 m -115.39 140.2 49.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.548 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 3.0 p90 -140.88 164.41 30.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.146 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -146.04 119.29 8.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.485 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -91.75 125.39 36.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.651 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.6 m-85 -110.37 118.3 35.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.478 ' O ' ' C ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -88.15 156.23 19.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.478 ' C ' ' O ' ' A' ' 26' ' ' MET . 0.0 OUTLIER 31.23 84.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.1 m 65.08 139.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.471 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -103.02 -16.32 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.2 mt -42.86 -27.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.446 ' N ' ' C ' ' A' ' 29' ' ' ASP . 67.0 p -94.05 -155.89 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -87.26 152.12 52.25 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.651 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 57.7 Cg_endo -63.73 177.68 1.68 Allowed 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 -178.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 24' ' ' MET . 12.2 m -117.64 -41.21 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' CG ' ' HB2' ' A' ' 24' ' ' MET . 4.2 ptmt -151.29 154.41 36.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.455 ' NH2' ' C ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -165.55 134.52 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.53 -158.47 8.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.79 165.28 11.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 tt -163.68 176.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.233 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -112.01 -36.79 5.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.0 t -137.09 126.95 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.75 119.42 57.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 108.291 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -63.03 172.67 4.67 Favored 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 164.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.42 127.16 32.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 46' ' ' SER . 45.3 t30 -75.28 165.86 24.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.404 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 7.6 p -124.33 -172.44 2.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 tp -97.8 -35.34 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.67 -6.9 58.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 t -145.38 165.97 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -132.43 125.93 31.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.431 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.5 m-85 -102.25 109.05 20.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 t -109.04 99.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 80.0 m -94.4 153.16 18.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.254 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.38 171.39 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -134.49 24.6 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.347 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.467 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 49.2 p -109.47 137.28 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.396 1.06 . . . . 0.0 110.455 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -61.3 119.57 8.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 74.62 38.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.482 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 3.2 p -75.39 -41.43 56.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 108.281 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 40.2 p-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -108.17 116.93 32.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 m -113.53 148.25 36.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 108.24 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -99.26 165.84 11.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.475 ' CD ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -93.45 -156.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.452 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 7.6 tt -50.18 -35.46 26.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 79.4 t -107.84 129.35 24.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -60.24 53.21 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 163.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 6.0 tp -135.64 -49.5 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.475 ' HB2' ' CD ' ' A' ' 5' ' ' LYS . . . -104.28 132.61 50.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -151.06 154.6 37.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -133.48 -174.69 3.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.345 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.26 123.94 33.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.7 m -73.38 106.13 2.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 108.341 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -59.76 -176.2 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.089 3.073 . . . . 0.0 120.089 -168.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.15 123.66 14.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.27 -38.25 3.39 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -118.44 96.26 5.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 0.737 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -113.51 22.64 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.2 mt -130.02 142.34 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 5.1 m -114.13 125.48 54.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 108.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.584 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 4.1 p90 -123.5 162.18 23.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.492 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 17.9 pttt -145.98 110.36 5.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -84.12 131.6 34.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.067 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.472 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 26.1 m-85 -115.72 121.44 42.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.559 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -87.0 152.76 22.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.41 ' HB2' ' O ' ' A' ' 26' ' ' MET . 1.4 mmt 62.54 -67.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.0 t -146.17 156.52 43.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 109.961 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.448 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -101.64 -35.05 9.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.5 mt -40.73 -29.33 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.448 ' N ' ' C ' ' A' ' 29' ' ' ASP . 32.1 p -89.38 -152.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -103.67 139.33 20.0 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.472 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 58.1 Cg_endo -64.39 -167.04 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.106 3.079 . . . . 0.0 120.106 -164.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 2.3 m -118.64 -46.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -147.73 155.49 41.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -165.89 131.55 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.217 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.03 -153.85 6.41 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -107.33 164.24 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.464 HD13 ' CG ' ' A' ' 43' ' ' PRO . 2.2 tt -165.66 176.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -105.04 -33.25 8.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.6 p -143.99 144.86 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.371 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.42 116.43 28.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 0.0 108.294 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 31.5 Cg_exo -58.38 -163.7 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.198 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 169.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -67.93 -175.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.86 129.05 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.232 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.8 p -114.5 -177.02 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.521 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -88.89 -19.25 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.43 -32.26 26.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.28 165.58 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.75 119.39 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.577 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 7.4 m-85 -96.9 89.17 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.414 HG23 ' CD1' ' A' ' 25' ' ' PHE . 1.6 t -84.83 99.63 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.1 m -94.39 153.07 18.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.383 1.052 . . . . 0.0 108.347 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.82 169.26 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -132.99 28.11 4.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.257 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 68.4 p -113.72 138.71 49.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -61.85 119.04 8.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 76.42 38.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.282 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.5 p -76.02 -42.61 47.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 108.348 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.492 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 41.5 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.345 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.418 ' CD2' ' C ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -107.0 113.3 26.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.6 m -107.94 149.13 28.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 108.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.74 165.58 11.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.426 ' HE3' ' CB ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -86.63 -156.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.223 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tt -51.08 -38.88 54.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.0 t -103.35 132.8 20.74 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -60.88 59.66 0.09 OUTLIER 'Trans proline' 0 CA--C 1.566 2.111 0 N-CA-C 120.09 3.073 . . . . 0.0 120.09 162.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.1 tp -137.66 -56.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.426 ' CB ' ' HE3' ' A' ' 5' ' ' LYS . . . -101.07 136.76 40.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -153.86 150.77 28.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.065 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -131.01 -177.99 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.59 125.15 32.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.434 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -72.52 108.37 4.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.298 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -59.81 -174.81 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.198 0 N-CA-C 120.097 3.076 . . . . 0.0 120.097 -168.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -54.8 126.04 22.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.48 -38.38 3.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -117.87 104.35 10.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.749 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.408 ' O ' ' CD1' ' A' ' 1' ' ' LEU . 34.8 t30 -123.13 15.84 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.4 mt -121.91 143.8 49.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.46 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.8 m -112.72 142.37 45.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 108.313 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.6 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.1 p90 -142.37 159.63 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 7.3 pttt -145.89 113.89 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.6 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -89.96 131.51 35.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.628 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 76.0 m-85 -113.12 123.52 50.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.552 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -87.1 154.32 20.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.46 ' HG3' ' CE ' ' A' ' 26' ' ' MET . 0.2 OUTLIER 62.91 -66.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.552 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.2 m -152.78 153.7 33.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.22 -23.71 18.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.2 mt -47.13 -25.35 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.3 p -105.11 -178.6 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.458 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.65 149.0 97.85 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.6 Cg_endo -65.71 -177.16 0.67 Allowed 'Trans proline' 0 CA--C 1.567 2.126 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 -177.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 2.9 m -117.15 -45.97 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -145.27 153.17 41.01 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.14 132.75 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.76 -161.2 10.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.6 m -98.46 164.72 12.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 tt -165.59 177.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -114.14 -34.76 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.5 p -136.77 129.94 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.97 115.72 21.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 108.336 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -57.7 179.09 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 170.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -75.41 128.86 36.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.481 HD21 ' N ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -75.3 158.51 32.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.481 ' N ' HD21 ' A' ' 45' ' ' ASN . 96.5 p -124.01 169.68 11.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.909 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.506 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -90.39 -18.53 25.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.46 ' CD1' ' HE3' ' A' ' 26' ' ' MET . 0.2 OUTLIER -94.95 -20.28 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 t -132.44 157.73 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.22 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -122.05 122.25 38.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.541 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 7.5 m-85 -97.16 116.72 29.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.8 t -114.63 98.71 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 99.7 m -94.5 149.9 20.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.294 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.77 172.05 18.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 108.319 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.418 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 31.7 p-10 -134.72 23.42 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.6 p -104.84 137.05 43.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 13.3 m-20 -62.2 118.99 8.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.17 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' HG3' ' C ' ' A' ' 57' ' ' ASP . 3.0 mtm180 75.01 37.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.3 p -75.81 -36.78 59.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.339 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.463 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 42.1 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.398 1.061 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -112.03 115.19 28.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -110.93 145.77 37.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.356 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.418 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.3 m-20 -96.84 172.21 8.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.473 ' CD ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -93.82 -157.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HG ' ' NH2' ' A' ' 36' ' ' ARG . 2.2 tp -52.77 -29.43 27.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.6 t -111.74 129.82 23.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -60.55 48.53 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 163.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 10' ' ' ALA . 3.6 tp -129.62 -50.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.473 ' HB2' ' CD ' ' A' ' 5' ' ' LYS . . . -105.16 128.54 53.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.638 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 43.6 p90 -150.59 154.43 37.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -137.68 -176.83 4.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.613 1.196 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.93 127.8 34.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.394 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.1 m -74.04 106.37 2.47 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 108.333 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -60.64 -174.99 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 -167.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -55.33 120.17 6.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.42 -38.57 2.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 104.61 8.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -117.75 20.45 13.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.6 mt -127.91 144.92 51.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.459 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -114.31 140.49 48.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 108.337 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.565 ' CD1' ' HE3' ' A' ' 24' ' ' MET . 3.1 p90 -137.24 163.61 30.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.17 115.53 7.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.569 ' HE1' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -88.36 130.91 35.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.602 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 38.2 m-85 -117.2 117.18 28.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.528 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -86.72 155.25 20.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.37 -73.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.9 m -141.34 150.14 42.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.409 1.068 . . . . 0.0 110.048 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.431 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -99.58 -21.35 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.8 mt -44.14 -26.91 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.431 ' N ' ' C ' ' A' ' 29' ' ' ASP . 44.2 p -107.83 -176.21 3.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 110.361 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.84 145.45 97.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.602 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.0 Cg_endo -65.31 -169.09 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.111 3.081 . . . . 0.0 120.111 -175.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 24' ' ' MET . 2.8 m -115.12 -42.47 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -147.88 158.82 44.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.421 ' NH2' ' HG ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -165.59 133.96 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.71 -153.66 6.65 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -110.42 164.79 12.34 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.464 HD13 ' CG ' ' A' ' 43' ' ' PRO . 2.8 tt -164.44 175.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.489 1.118 . . . . 0.0 109.23 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -107.01 -40.68 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.229 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.401 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 9.8 p -135.34 137.09 50.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.17 115.19 17.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.272 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.464 ' CG ' HD13 ' A' ' 39' ' ' ILE . 21.1 Cg_exo -63.01 -165.72 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.071 3.066 . . . . 0.0 120.071 170.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -74.54 -175.17 2.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -163.57 135.08 4.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.7 p -105.03 -173.68 2.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.929 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.411 ' N ' HD21 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -88.97 -17.64 29.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.63 -28.24 26.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 t -123.85 167.69 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -137.87 112.52 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.569 ' CE2' ' HE1' ' A' ' 24' ' ' MET . 4.7 m-85 -89.99 99.64 12.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 25' ' ' PHE . 2.0 t -99.9 102.44 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.0 m -94.1 153.52 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.269 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -154.55 171.71 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 108.292 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -136.29 20.58 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 34.2 p -104.43 136.72 43.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 11.4 m-20 -62.07 117.87 6.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.638 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 27.1 mtp180 78.63 36.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.2 p -76.07 -37.57 58.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' C ' ' OD1' ' A' ' 60' ' ' ASN . 38.3 p-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.69 112.25 24.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.6 m -108.32 143.68 36.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 108.237 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -97.89 174.59 6.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -94.35 -160.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -49.84 -37.65 31.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 56.1 t -102.77 131.18 22.54 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.55 57.31 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.18 3.108 . . . . 0.0 120.18 163.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.7 tp -136.48 -56.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -100.92 132.83 46.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.438 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 40.4 p90 -151.37 152.28 32.9 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.13 -175.31 3.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.91 128.31 35.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.3 m -74.38 114.79 37.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.337 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -60.99 -179.89 0.33 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.129 3.088 . . . . 0.0 120.129 -173.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.0 122.04 12.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.92 -39.3 2.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.394 1.059 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.39 105.3 10.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -116.25 15.38 15.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.8 mt -122.44 142.96 50.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.7 m -114.81 134.84 54.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 108.318 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.4 p90 -135.42 161.54 35.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' O ' ' CE1' ' A' ' 25' ' ' PHE . 7.4 pttt -145.76 119.5 9.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.57 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -94.53 130.04 41.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.614 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 16.3 m-85 -117.03 128.87 55.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.493 ' O ' ' C ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -84.78 157.47 20.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.566 ' O ' ' CB ' ' A' ' 28' ' ' SER . 3.9 mmm 29.84 71.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 27' ' ' MET . 2.1 t 90.33 151.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.932 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.484 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -110.23 -34.02 6.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' ASP . 48.5 mt -39.8 -29.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.447 ' N ' ' C ' ' A' ' 29' ' ' ASP . 47.5 p -78.14 -161.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -96.35 146.2 30.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.614 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 57.3 Cg_endo -63.55 162.58 27.19 Favored 'Trans proline' 0 CA--C 1.567 2.14 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -171.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.8 m -105.88 -39.53 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.087 . . . . 0.0 109.255 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.34 150.15 26.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.474 ' CZ ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -156.37 169.0 25.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.41 ' HA2' ' NH1' ' A' ' 36' ' ' ARG . . . 172.97 -169.08 42.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 m -96.9 165.77 11.94 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 tt -165.26 174.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -108.95 -41.11 4.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.0 129.34 54.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.6 1.187 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.8 t -64.17 118.83 50.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.382 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -62.71 171.82 5.34 Favored 'Trans proline' 0 CA--C 1.567 2.145 0 N-CA-C 120.066 3.064 . . . . 0.0 120.066 165.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -75.11 125.89 29.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 46' ' ' SER . 39.7 t30 -75.37 165.33 25.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.454 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 95.5 p -119.98 -174.29 2.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.23 -23.11 17.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.93 -41.19 16.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.06 164.51 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 109.222 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.37 119.23 25.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.8 m-85 -92.05 110.9 22.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.169 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.7 t -110.52 100.38 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.0 m -98.29 152.03 19.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 108.213 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.55 169.64 23.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -131.53 27.13 4.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.375 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.524 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.5 p -112.23 141.3 46.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.142 . . . . 0.0 110.352 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.4 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 21.0 m-20 -63.89 126.74 28.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.4 ' HG3' ' C ' ' A' ' 57' ' ' ASP . 13.1 mtm180 67.29 35.54 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 56' ' ' THR . 6.2 p -75.99 -26.31 56.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.3 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.487 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 52.7 p30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 109.317 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -102.44 116.5 32.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 m -112.8 143.98 43.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 108.342 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -99.09 161.09 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.467 ' CD ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -85.39 -164.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tp -48.95 -29.17 4.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.2 t -109.96 128.14 25.89 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -60.26 56.45 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.079 3.069 . . . . 0.0 120.079 163.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.401 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -140.49 -46.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.467 ' HB3' ' CD ' ' A' ' 5' ' ' LYS . . . -105.13 133.59 49.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -155.84 151.95 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -136.61 -177.18 4.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.91 119.68 25.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.5 m -66.13 104.88 0.66 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 108.28 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -60.1 -175.52 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.197 0 N-CA-C 120.113 3.082 . . . . 0.0 120.113 -166.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -54.88 126.5 24.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.269 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.13 -42.67 1.88 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.415 1.072 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -118.0 104.61 11.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -122.4 22.72 9.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.0 mt -127.83 125.31 39.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.6 m -96.5 133.77 40.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CE1' ' HE3' ' A' ' 24' ' ' MET . 2.4 p90 -133.4 164.62 26.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.615 1.197 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.14 122.38 10.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.654 ' CE ' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -91.86 127.46 37.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.631 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 79.1 m-85 -112.82 115.54 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.938 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -85.66 157.95 20.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.055 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.4 mmm 57.88 -79.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.7 m -143.6 133.54 24.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -73.68 -24.41 59.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.9 mt -43.3 -27.62 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.108 . . . . 0.0 109.217 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 29' ' ' ASP . 69.4 p -106.33 177.3 4.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.447 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.409 HG21 ' N ' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -55.59 150.69 24.34 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.631 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 58.9 Cg_endo -64.93 -176.83 0.49 Allowed 'Trans proline' 0 CA--C 1.567 2.144 0 N-CA-C 120.107 3.08 . . . . 0.0 120.107 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 5.4 m -119.63 -42.84 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.03 157.34 43.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.43 ' NE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -167.42 139.23 3.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.54 -166.71 23.92 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.394 1.059 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -95.29 166.03 12.1 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.5 tt -165.35 176.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -113.42 -36.77 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.5 p -133.84 130.35 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -67.44 119.79 68.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 108.298 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -65.34 161.94 35.7 Favored 'Trans proline' 0 CA--C 1.567 2.174 0 N-CA-C 120.125 3.087 . . . . 0.0 120.125 164.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -75.32 127.41 33.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.449 ' ND2' ' HA ' ' A' ' 50' ' ' LYS . 47.7 t30 -75.11 166.3 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.3 p -119.74 -174.17 2.69 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.413 1.071 . . . . 0.0 110.001 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.531 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -94.12 -6.74 44.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.37 -14.67 15.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.9 t -135.29 168.15 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -138.57 107.57 6.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.654 ' CE2' ' CE ' ' A' ' 24' ' ' MET . 4.4 m-85 -84.48 131.97 34.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.4 t -127.53 98.89 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 84.5 m -94.01 149.1 21.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.264 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -154.71 170.73 20.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 0.0 108.345 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -133.08 22.99 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 11.8 p -105.7 137.71 43.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.423 ' C ' ' CG ' ' A' ' 58' ' ' ARG . 18.7 m-20 -61.73 119.8 9.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.423 ' CG ' ' C ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER 73.52 37.7 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 110.225 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' THR . 4.3 p -75.77 -32.53 59.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 108.327 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.425 ' C ' ' OD1' ' A' ' 60' ' ' ASN . 40.9 p-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -110.81 113.78 26.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 m -111.58 147.57 35.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.348 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.439 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -98.89 175.34 5.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.471 ' CD ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.96 -162.15 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.96 -32.42 14.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.2 t -107.83 132.15 21.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -61.95 60.99 0.12 Allowed 'Trans proline' 0 CA--C 1.568 2.215 0 N-CA-C 120.117 3.083 . . . . 0.0 120.117 162.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -140.4 -48.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.471 ' HB3' ' CD ' ' A' ' 5' ' ' LYS . . . -109.51 133.02 53.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.454 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 43.3 p90 -154.14 148.08 25.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -132.35 -173.21 3.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.68 129.82 34.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.6 m -71.82 111.59 11.07 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.499 1.124 . . . . 0.0 108.234 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -61.68 -174.92 0.14 Allowed 'Trans proline' 0 CA--C 1.567 2.173 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 -172.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.19 116.22 3.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.31 -39.45 2.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -120.92 111.78 17.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.245 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -115.35 -14.96 11.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.435 1.085 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 22.8 mt -101.04 158.61 15.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.451 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -121.07 148.96 43.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 108.339 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.449 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 21.4 p90 -145.42 159.28 43.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HD3' ' CB ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -145.98 116.32 7.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.548 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -91.23 132.1 36.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.6 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 82.0 m-85 -116.16 118.97 34.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.56 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -84.62 155.93 21.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.19 -78.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.4 m -132.85 151.02 52.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.956 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -100.47 -21.66 15.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 mt -44.54 -26.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.409 ' N ' ' C ' ' A' ' 29' ' ' ASP . 62.6 p -106.22 -178.19 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -58.92 151.77 53.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.0 Cg_endo -64.63 -174.0 0.26 Allowed 'Trans proline' 0 CA--C 1.567 2.16 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.69 -42.35 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -149.82 157.27 43.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.27 171.75 11.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.422 ' HA2' ' NH1' ' A' ' 36' ' ' ARG . . . 165.92 -166.63 38.75 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -99.27 154.43 18.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 tt -154.4 178.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -114.43 -39.63 3.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.3 t -131.98 127.71 58.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.47 119.17 54.46 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 108.244 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -62.09 168.15 9.59 Favored 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.119 3.084 . . . . 0.0 120.119 164.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -74.14 125.29 28.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.23 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 46' ' ' SER . 38.4 t30 -75.5 164.51 26.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.454 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 85.0 p -126.26 -178.45 4.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.477 ' CD2' HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -90.55 -24.41 20.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.477 HD23 ' CD2' ' A' ' 47' ' ' LEU . 3.7 mm? -81.1 -34.91 32.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.21 162.77 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -125.85 117.51 23.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.548 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.8 m-85 -92.41 118.51 31.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.5 t -118.26 99.08 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 79.7 m -94.0 151.95 19.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.17 172.07 18.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 108.292 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.434 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 36.2 p-10 -135.45 21.36 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 56.8 p -105.81 138.57 41.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 22.7 m-20 -62.69 121.22 12.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.454 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 19.7 mtp180 73.83 37.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' THR . 2.8 p -75.72 -34.71 60.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 108.315 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.455 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 45.0 p30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.439 ' CD1' ' O ' ' A' ' 19' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -103.78 106.95 17.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -104.34 147.36 27.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.253 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.81 168.57 10.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -91.55 -157.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.412 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 4.0 tt -49.71 -38.06 31.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.6 t -103.87 132.34 21.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -61.03 56.61 0.1 OUTLIER 'Trans proline' 0 CA--C 1.567 2.161 0 N-CA-C 120.189 3.111 . . . . 0.0 120.189 162.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -141.85 -47.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.42 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -103.77 126.06 50.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -144.98 155.93 43.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 111.06 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.92 -177.48 4.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.84 122.04 29.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.8 m -71.33 108.45 3.87 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 108.246 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -59.43 -175.78 0.1 OUTLIER 'Trans proline' 0 CA--C 1.568 2.214 0 N-CA-C 120.129 3.088 . . . . 0.0 120.129 -168.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -55.43 126.35 24.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.23 -44.22 1.55 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -112.28 98.9 7.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 0.731 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.439 ' O ' ' CD1' ' A' ' 1' ' ' LEU . 29.4 t30 -114.61 30.42 7.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.1 mt -139.07 146.74 41.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.494 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.4 m -115.81 136.59 52.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.334 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.601 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.4 p90 -135.3 161.23 36.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 1.9 pttt -145.76 115.46 7.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.601 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.3 mpp? -92.53 131.75 37.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.625 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 52.4 m-85 -115.85 125.32 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.549 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -83.55 153.59 24.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.0 mmm 61.93 -66.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -145.35 160.09 42.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -102.15 -32.55 10.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mt -45.57 -26.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.424 ' N ' ' C ' ' A' ' 29' ' ' ASP . 62.5 p -89.65 -156.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -94.09 148.21 34.77 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.625 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 58.0 Cg_endo -64.31 175.24 3.48 Favored 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -174.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.1 m -118.55 -43.88 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 2.0 tptt -147.36 145.98 29.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.367 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' N ' ' HG3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -160.31 140.39 11.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.14 . . . . 0.0 110.243 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.4 -156.15 8.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -105.31 165.59 11.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 tt -165.65 175.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 12.5 p-10 -111.49 -39.87 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.417 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 8.5 p -134.3 128.43 52.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 t -64.41 118.71 49.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 108.351 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -63.53 173.04 4.78 Favored 'Trans proline' 0 CA--C 1.569 2.242 0 N-CA-C 120.11 3.081 . . . . 0.0 120.11 165.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -75.21 127.33 32.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -74.72 165.62 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.9 p -115.92 -172.58 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.939 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.87 -28.52 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.14 -38.09 19.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.8 t -106.29 168.22 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -133.3 113.41 12.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.58 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.3 m-85 -88.74 115.19 26.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 111.066 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.0 t -116.44 98.72 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.1 m -94.06 153.29 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.314 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.5 171.48 19.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -136.1 27.97 3.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 76.3 p -112.81 138.26 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -61.72 119.93 9.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 73.83 39.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 2.3 p -76.14 -37.32 58.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.464 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 40.2 p-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -99.96 111.04 23.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.2 m -104.31 151.21 23.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 108.328 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -101.33 160.6 14.28 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.484 ' CE ' ' HB2' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -86.49 -160.68 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.45 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -50.66 -31.91 17.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.342 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.1 t -108.95 131.14 21.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.387 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HG3' ' NH2' ' A' ' 36' ' ' ARG . 24.3 Cg_exo -60.44 47.88 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.195 0 N-CA-C 120.097 3.076 . . . . 0.0 120.097 163.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 tp -131.07 -48.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.484 ' HB2' ' CE ' ' A' ' 5' ' ' LYS . . . -103.67 132.07 50.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -155.14 147.8 24.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.92 179.43 6.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.31 122.47 28.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.5 m -69.21 108.97 3.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 108.325 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -61.01 -174.54 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.165 3.102 . . . . 0.0 120.165 -171.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -54.63 124.79 17.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.55 -39.27 2.89 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -128.22 106.46 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.797 . . . . 0.0 109.284 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.46 ' O ' ' CD1' ' A' ' 1' ' ' LEU . 41.8 t30 -120.06 15.4 12.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.6 mt -120.83 147.32 45.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.471 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 m -115.97 143.37 45.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.55 1.157 . . . . 0.0 108.347 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.611 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.0 p90 -142.84 157.67 44.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.458 1.099 . . . . 0.0 111.04 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.511 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -142.88 116.14 8.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.593 1.183 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.611 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -91.73 135.27 34.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.605 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 27.2 m-85 -117.55 119.49 35.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.513 ' O ' ' N ' ' A' ' 28' ' ' SER . 1.9 tmm? -83.74 153.86 23.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mmt 61.28 -73.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.4 m -139.49 154.11 47.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.548 1.155 . . . . 0.0 109.951 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -101.41 -22.11 14.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.5 mt -44.76 -26.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.404 ' N ' ' C ' ' A' ' 29' ' ' ASP . 55.0 p -105.85 -177.54 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -65.18 147.47 98.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.605 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.1 Cg_endo -65.37 -173.0 0.26 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 -175.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 m -115.68 -43.8 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.03 154.47 42.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -165.82 128.98 2.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.27 -156.28 7.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.565 1.166 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.2 m -105.37 165.29 11.23 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 tt -165.3 176.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 109.356 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -112.09 -40.73 4.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.5 t -135.08 129.51 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.416 1.073 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -67.79 119.66 68.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.329 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -63.73 176.86 2.06 Favored 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 164.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 128.04 34.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 46' ' ' SER . 44.5 t30 -75.86 166.22 23.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.425 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 89.4 p -124.92 177.36 6.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.05 -22.27 20.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.86 -27.0 27.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 46' ' ' SER . 19.2 t -129.05 166.91 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 24' ' ' MET . 24.5 tptt -128.14 116.48 20.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.418 ' CZ ' ' HE1' ' A' ' 24' ' ' MET . 3.9 m-85 -91.27 108.1 19.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.421 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 14.8 t -107.69 97.38 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 91.0 m -95.81 148.93 22.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 108.239 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -154.19 172.85 16.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 108.246 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -134.15 22.07 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.514 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 9.7 p -103.98 139.63 38.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.401 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 14.1 m-20 -63.35 124.31 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.401 ' HG3' ' C ' ' A' ' 57' ' ' ASP . 29.2 mtp180 69.17 36.17 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 56' ' ' THR . 5.0 p -76.12 -27.31 57.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 108.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.437 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 44.7 p-10 . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -103.84 113.3 26.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 m -110.52 144.9 38.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 108.273 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -97.97 169.72 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.467 ' CE ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.7 -156.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 tp -50.86 -37.29 42.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.6 t -105.76 129.57 24.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.63 55.33 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.167 0 N-CA-C 120.183 3.109 . . . . 0.0 120.183 163.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.2 tp -134.87 -47.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.467 ' HB2' ' CE ' ' A' ' 5' ' ' LYS . . . -110.34 131.43 55.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.481 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 35.6 p90 -147.4 157.22 43.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.09 -178.36 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.3 121.99 28.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.7 m -69.5 106.05 1.36 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -59.59 -174.83 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.204 0 N-CA-C 120.067 3.064 . . . . 0.0 120.067 -165.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -54.81 124.38 16.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.49 -40.6 2.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -115.68 107.92 15.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 0.721 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -121.96 15.49 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.249 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.4 mt -121.4 143.22 49.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.452 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -115.75 131.84 56.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.241 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.6 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 4.3 p90 -131.12 162.15 30.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.465 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -145.9 114.64 6.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.6 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -90.41 129.02 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 111.026 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.643 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 82.4 m-85 -112.44 121.78 45.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 110.965 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.548 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.5 OUTLIER -84.19 153.09 23.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.988 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.89 -67.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.052 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -148.4 159.03 44.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -100.19 -34.7 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.5 mt -42.98 -27.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.436 ' N ' ' C ' ' A' ' 29' ' ' ASP . 55.9 p -89.99 -154.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.465 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -98.03 145.46 29.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.643 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 56.4 Cg_endo -63.12 -173.1 0.15 Allowed 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -171.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 24' ' ' MET . 4.7 m -126.36 -43.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -148.45 150.43 33.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.428 1.08 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.74 131.72 2.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 110.269 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.36 -152.08 5.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.6 m -108.37 164.76 12.04 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 tt -165.36 175.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -109.05 -39.25 5.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -135.08 128.99 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.09 119.49 56.01 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 108.339 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -61.37 171.5 4.17 Favored 'Trans proline' 0 CA--C 1.567 2.151 0 N-CA-C 120.101 3.077 . . . . 0.0 120.101 164.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -75.14 126.42 30.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 46' ' ' SER . 40.9 t30 -75.41 165.44 25.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.423 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 86.8 p -127.29 -179.55 4.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.024 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.9 -21.13 20.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.37 -27.1 24.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 t -131.19 160.32 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -122.16 117.68 26.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.55 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 6.3 m-85 -93.85 106.08 18.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.074 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.23 99.34 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 88.8 m -94.32 154.89 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.346 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.42 173.35 16.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -135.91 20.31 3.26 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.494 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 41.6 p -105.08 140.35 38.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 1.146 . . . . 0.0 110.351 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -62.7 123.39 18.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.481 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 21.0 mtp180 70.52 38.54 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.263 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.9 p -76.43 -38.66 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 108.266 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.465 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 35.4 p-10 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -103.54 119.04 38.12 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -117.01 149.08 40.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 108.297 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -95.33 158.83 15.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.489 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -87.19 -156.82 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.495 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 6.3 tp -50.66 -30.61 14.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.5 t -111.18 132.32 21.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -60.51 55.05 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.082 3.07 . . . . 0.0 120.082 162.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.401 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 6.5 tp -143.08 -51.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.489 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -97.94 126.69 43.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.221 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -146.77 152.74 39.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -136.1 -176.94 4.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.32 119.23 25.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.8 m -67.65 104.61 0.69 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 108.259 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -58.26 -174.88 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.193 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -167.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -54.92 125.95 22.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.89 -40.05 2.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.088 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -116.41 99.11 6.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -118.44 23.97 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.6 mt -129.22 140.74 51.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.462 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.7 m -112.5 129.93 56.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.351 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 3.5 p90 -128.07 166.64 18.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -145.96 120.88 9.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.584 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 36.3 mtm -89.38 127.48 35.82 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 55.3 m-85 -113.2 112.8 24.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' SER . 1.1 tmm? -85.02 156.82 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.23 -80.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.154 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.9 m -140.01 133.78 30.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -76.57 -25.81 54.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.5 mt -42.28 -28.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 29' ' ' ASP . 80.5 p -105.72 173.38 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.93 149.19 18.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.59 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 60.2 Cg_endo -65.54 -172.04 0.23 Allowed 'Trans proline' 0 CA--C 1.567 2.158 0 N-CA-C 120.112 3.082 . . . . 0.0 120.112 -177.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 35' ' ' LYS . 15.6 m -123.06 -41.8 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' N ' HG23 ' A' ' 34' ' ' VAL . 0.8 OUTLIER -145.28 155.87 43.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.495 ' CZ ' ' O ' ' A' ' 6' ' ' LEU . 4.0 ptp180 -167.08 134.28 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.365 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.43 -159.15 9.86 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.449 1.093 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -105.12 165.66 10.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 tt -165.57 175.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -111.98 -35.71 5.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.5 t -135.62 128.71 47.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.68 119.31 56.29 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 108.317 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -64.5 161.77 33.7 Favored 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.06 3.061 . . . . 0.0 120.06 164.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.19 125.54 29.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.467 ' ND2' ' HA ' ' A' ' 50' ' ' LYS . 45.0 t30 -75.86 165.2 25.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.6 p -114.35 -176.44 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.08 -2.2 56.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.93 -22.28 12.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.401 ' O ' ' OD1' ' A' ' 45' ' ' ASN . 19.5 t -127.46 167.0 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -136.92 108.32 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.584 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.8 m-85 -84.6 135.76 34.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 11.1 t -129.39 97.14 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.2 m -93.94 151.79 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.76 170.98 20.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 108.356 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -131.07 26.04 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.453 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 73.1 p -111.85 138.38 48.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 110.388 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.32 120.14 9.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 72.94 40.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.322 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 2.9 p -75.72 -35.95 60.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 108.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 42.1 p-10 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -110.69 114.18 27.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.407 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 5.5 m -109.59 146.96 33.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 108.297 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -106.39 163.82 12.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -87.46 -159.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.362 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tt -50.0 -33.03 16.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.448 ' CG1' HG21 ' A' ' 9' ' ' ILE . 72.1 t -113.69 127.53 26.72 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -60.15 41.07 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.137 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 164.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.448 HG21 ' CG1' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -115.89 -33.02 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -128.38 132.76 48.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -152.57 155.61 37.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.69 -173.74 3.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.24 124.03 32.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.407 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.407 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 91.8 m -68.5 104.1 0.64 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 108.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -58.88 -175.08 0.08 OUTLIER 'Trans proline' 0 CA--C 1.569 2.238 0 N-CA-C 120.085 3.071 . . . . 0.0 120.085 -164.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -55.1 125.34 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.72 -38.76 3.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -114.88 106.24 13.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -120.42 10.9 11.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.3 mt -118.45 141.52 48.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.441 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -115.22 126.82 55.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.603 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 7.8 p90 -122.74 163.47 20.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.466 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -146.05 113.76 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.2 mpp? -89.99 129.25 36.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.63 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 46.2 m-85 -112.44 121.81 45.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' SER . 1.5 tmm? -84.38 154.8 22.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 62.05 -69.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.6 m -150.04 150.44 31.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.056 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.3 OUTLIER -94.65 -22.18 18.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.9 mt -45.68 -26.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 29' ' ' ASP . 71.8 p -101.62 -157.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.19 148.14 46.74 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.63 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 58.2 Cg_endo -64.66 -173.52 0.24 Allowed 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 -175.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 24' ' ' MET . 4.8 m -122.01 -43.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -149.07 153.11 37.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -165.89 134.79 3.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.51 -158.65 8.79 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 6.6 m -102.4 163.49 12.2 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 tt -163.49 174.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.23 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -110.62 -35.9 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.4 t -137.11 127.55 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.97 117.72 38.76 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 0.0 108.343 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -62.37 171.87 4.92 Favored 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.119 3.084 . . . . 0.0 120.119 166.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -75.35 126.64 31.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 46' ' ' SER . 38.9 t30 -75.39 165.04 25.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.421 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 86.2 p -123.4 178.88 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.551 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -90.65 -16.42 28.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.369 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.42 -32.1 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.0 t -123.77 165.62 20.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.609 1.193 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -127.2 113.61 16.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.9 m-85 -89.29 103.12 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.422 HG21 ' CD1' ' A' ' 25' ' ' PHE . 2.1 t -106.17 101.5 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 84.2 m -94.08 152.98 18.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 108.263 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.47 167.92 28.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -130.56 24.16 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 11.2 p -106.55 136.5 46.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 15.8 m-20 -62.21 118.86 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER 77.24 35.26 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 56' ' ' THR . 4.7 p -75.83 -36.77 59.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.168 . . . . 0.0 108.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.466 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 55.0 p30 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -107.24 111.86 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 m -110.81 147.13 35.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -99.84 163.31 12.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -87.81 -162.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tt -49.42 -25.92 2.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.47 ' CG1' HG22 ' A' ' 9' ' ' ILE . 78.1 t -113.77 126.58 27.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.67 48.62 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.155 0 N-CA-C 120.109 3.08 . . . . 0.0 120.109 163.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.47 HG22 ' CG1' ' A' ' 7' ' ' VAL . 6.8 tp -131.65 -46.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.452 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -108.85 129.36 55.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -149.35 152.12 35.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -134.73 -173.73 3.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.78 124.48 31.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.8 m -68.38 107.32 1.86 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 108.274 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -59.41 -174.78 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.223 0 N-CA-C 120.074 3.067 . . . . 0.0 120.074 -165.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.5 128.91 34.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.83 -38.67 3.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.15 106.72 15.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -123.15 15.14 9.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.4 mt -122.59 142.71 50.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -112.05 136.33 51.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 108.29 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.603 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 2.6 p90 -135.45 160.24 39.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 22.5 pttt -145.89 113.33 6.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.9 mpp? -88.82 134.66 33.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 32.1 m-85 -118.35 120.14 36.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.08 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.509 ' O ' ' N ' ' A' ' 28' ' ' SER . 1.1 tmm? -87.2 154.47 20.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.2 mtt 61.39 -72.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.7 m -145.63 144.91 30.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -91.04 -21.71 21.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.087 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.7 mt -43.47 -27.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.422 ' N ' ' C ' ' A' ' 29' ' ' ASP . 43.3 p -108.17 -178.68 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 110.463 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.52 143.25 98.56 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.234 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.3 Cg_endo -65.26 -166.3 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.146 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -171.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 m -117.68 -45.34 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.083 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -147.62 153.3 39.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' HD3' ' ND2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -166.22 131.88 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.8 -153.9 6.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.7 m -106.12 165.77 10.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 tt -165.4 174.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -109.95 -34.68 6.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.9 t -141.38 128.2 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.92 119.95 62.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 108.346 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -62.73 174.56 2.84 Favored 'Trans proline' 0 CA--C 1.568 2.205 0 N-CA-C 120.13 3.088 . . . . 0.0 120.13 164.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.55 128.52 35.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 46' ' ' SER . 40.9 t30 -75.68 165.66 24.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 79.4 p -123.25 178.13 5.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -23.21 20.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.74 -26.82 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.1 t -126.53 163.43 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -127.02 114.97 18.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.562 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.5 m-85 -90.71 110.02 21.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.407 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 2.5 t -109.88 96.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 87.1 m -94.66 152.81 18.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 108.305 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -155.34 170.56 21.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 108.334 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 -133.02 30.18 4.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.491 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.3 p -114.53 140.44 48.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -62.6 122.64 16.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 69.45 37.89 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.223 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 56' ' ' THR . 5.0 p -75.63 -37.31 59.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.303 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.463 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 39.4 p-10 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -105.48 105.58 15.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 m -100.93 146.99 26.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 108.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.6 OUTLIER -100.14 172.2 7.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 3.9 mttp -92.17 -158.26 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 tp -49.74 -38.56 34.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.9 t -106.27 133.57 20.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.68 58.93 0.12 Allowed 'Trans proline' 0 CA--C 1.569 2.227 0 N-CA-C 120.086 3.072 . . . . 0.0 120.086 162.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -133.84 -44.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -116.62 141.67 47.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -154.17 153.93 32.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.68 178.83 6.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.76 119.37 25.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.9 m -70.4 105.81 1.39 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.185 . . . . 0.0 108.324 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -59.89 -174.85 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.157 0 N-CA-C 120.146 3.095 . . . . 0.0 120.146 -168.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -54.94 128.31 32.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 110.23 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.06 -42.65 1.84 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -116.71 98.21 6.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.475 ' O ' ' CD1' ' A' ' 1' ' ' LEU . 26.1 t30 -115.58 18.32 15.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.4 mt -122.67 144.68 48.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.45 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -116.07 139.77 49.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 108.286 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.532 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 3.1 p90 -140.9 163.05 33.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -145.51 124.58 12.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.22 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.54 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -92.42 130.13 38.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.649 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.0 m-85 -115.4 118.23 32.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.535 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.9 OUTLIER -86.5 156.54 20.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.3 mtp 57.3 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.6 m -138.17 143.19 40.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.077 . . . . 0.0 110.012 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -89.45 -23.33 22.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.3 mt -43.16 -27.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.243 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.416 ' N ' ' C ' ' A' ' 29' ' ' ASP . 69.0 p -107.1 177.32 4.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.557 1.161 . . . . 0.0 110.436 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.8 149.14 23.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.649 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.0 Cg_endo -65.16 -172.36 0.22 Allowed 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 3.6 m -119.56 -44.47 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -149.43 162.06 40.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.507 ' CZ ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.19 163.68 17.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.351 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' HA2' ' NH1' ' A' ' 36' ' ' ARG . . . 175.98 -171.92 44.94 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.415 1.072 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -94.8 165.69 12.35 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 tt -165.47 174.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -112.52 -31.67 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.8 t -139.41 127.8 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 t -64.66 119.09 54.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -62.37 169.07 8.57 Favored 'Trans proline' 0 CA--C 1.567 2.15 0 N-CA-C 120.153 3.097 . . . . 0.0 120.153 165.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -74.28 125.04 27.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -75.57 165.73 24.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.219 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 p -122.99 -167.55 1.61 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 109.911 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.5 -36.76 9.08 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -78.93 -7.87 58.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 t -142.44 163.4 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.241 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -133.01 123.25 25.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.54 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.7 m-85 -99.01 121.81 41.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 t -119.49 98.62 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.4 m -94.29 150.07 20.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 108.329 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.96 171.21 20.08 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.124 . . . . 0.0 108.336 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -133.92 24.58 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.494 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.2 p -107.01 138.63 42.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.364 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -62.71 120.68 11.7 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mtm-85 74.0 36.33 0.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 56' ' ' THR . 4.4 p -76.36 -32.73 58.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 108.341 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.421 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 37.6 p-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -106.95 120.61 42.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.6 m -112.37 152.98 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.44 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 3.0 m-20 -101.96 168.03 9.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.472 ' CE ' ' HB1' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -93.27 -160.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.496 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 0.9 OUTLIER -51.35 -35.88 40.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.2 t -104.08 131.08 22.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -59.94 52.77 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.199 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 163.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.0 tp -137.71 -46.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.472 ' HB1' ' CE ' ' A' ' 5' ' ' LYS . . . -103.72 130.7 51.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.44 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 48.2 p90 -155.49 144.52 20.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.62 -171.44 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.66 128.88 34.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.389 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.3 m -64.99 117.24 37.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -59.26 -174.92 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.134 3.09 . . . . 0.0 120.134 -169.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -55.15 112.02 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.256 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.44 -38.44 3.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.0 mttt -105.19 110.75 23.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -118.36 -25.63 6.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.436 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 6.2 mt -94.23 151.86 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.458 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -115.36 149.21 38.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 108.259 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.584 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 2.9 p90 -145.33 160.19 41.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HB3' ' CB ' ' A' ' 36' ' ' ARG . 3.4 pttt -145.94 116.21 7.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.064 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -92.28 131.51 37.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.623 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 36.2 m-85 -112.66 123.6 50.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' SER . 1.2 tmm? -83.54 156.01 23.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 mmt 55.08 -82.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.3 m -127.59 148.9 50.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -100.61 -19.61 16.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.244 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.6 mt -45.27 -26.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 29' ' ' ASP . 60.4 p -106.31 -168.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.378 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.407 HG21 ' N ' ' A' ' 33' ' ' PRO . 0.6 OUTLIER -66.94 150.16 98.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.623 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.9 Cg_endo -65.95 -171.68 0.23 Allowed 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.151 3.097 . . . . 0.0 120.151 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 m -121.42 -43.58 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.87 155.8 41.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 6' ' ' LEU . 4.3 ptp180 -165.4 136.31 3.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.17 -159.69 8.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.431 ' CB ' ' HB3' ' A' ' 18' ' ' LYS . 22.0 m -106.05 163.02 13.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.5 tt -163.35 172.74 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -112.11 -28.32 8.03 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -142.95 127.06 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.4 t -64.07 118.47 46.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 108.312 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -64.7 173.15 5.92 Favored 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.143 3.094 . . . . 0.0 120.143 165.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -75.22 126.93 32.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 46' ' ' SER . 34.3 t30 -75.1 165.11 25.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 59.5 p -121.55 -179.23 4.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.79 -20.73 20.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.074 . . . . 0.0 109.313 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.4 -31.14 21.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.7 t -126.6 165.01 25.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -126.57 114.9 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.39 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.574 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.2 m-85 -87.35 113.5 23.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.2 t -113.74 99.15 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.9 m -94.42 152.07 18.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 108.318 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.68 172.33 18.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.26 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 23.8 p-10 -135.86 25.71 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.7 p -108.07 137.39 46.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.496 1.122 . . . . 0.0 110.381 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -61.9 118.16 6.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 75.86 37.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.24 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.7 p -75.76 -34.29 60.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.284 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 34.7 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -104.42 111.97 24.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.0 m -107.76 150.46 26.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 108.281 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -101.15 167.16 10.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.461 ' CE ' ' HB3' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -91.52 -154.42 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.1 tp -49.97 -41.9 47.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.2 t -106.82 139.34 20.28 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -60.75 49.7 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.199 0 N-CA-C 120.13 3.089 . . . . 0.0 120.13 162.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 10' ' ' ALA . 7.3 tp -129.1 -49.21 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.461 ' HB3' ' CE ' ' A' ' 5' ' ' LYS . . . -104.15 130.15 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.639 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 43.0 p90 -154.17 146.6 23.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -133.23 -175.46 3.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.15 123.31 31.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.453 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.1 m -69.56 109.68 5.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 108.347 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -59.04 -174.84 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.149 0 N-CA-C 120.03 3.05 . . . . 0.0 120.03 -168.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -54.85 129.17 36.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.223 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.43 -39.21 2.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.442 1.089 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.51 107.74 15.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -127.29 14.14 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.1 mt -119.43 139.81 51.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.478 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -109.76 140.18 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 108.361 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.611 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.1 p90 -139.06 159.88 41.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -145.44 114.19 6.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.611 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -91.63 133.77 35.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.64 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 51.3 m-85 -115.88 123.99 49.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -84.34 154.05 23.12 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 111.08 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 63.08 -67.6 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.7 m -152.06 151.94 31.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.963 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -89.98 -25.63 20.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.0 mt -45.27 -26.04 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.403 ' N ' ' C ' ' A' ' 29' ' ' ASP . 60.4 p -103.33 178.32 4.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.108 . . . . 0.0 110.388 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.47 148.16 98.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.64 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 57.8 Cg_endo -64.46 -172.97 0.2 Allowed 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.165 3.102 . . . . 0.0 120.165 -174.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.9 m -124.66 -44.55 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -144.34 151.59 39.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.68 132.51 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.406 1.066 . . . . 0.0 110.351 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.17 -163.9 13.38 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.2 m -96.06 166.14 11.91 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 tt -165.06 175.39 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -111.18 -35.39 5.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -140.08 128.43 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.96 119.52 55.79 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.463 1.102 . . . . 0.0 108.224 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -61.83 169.76 6.81 Favored 'Trans proline' 0 CA--C 1.568 2.201 0 N-CA-C 120.139 3.092 . . . . 0.0 120.139 164.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -75.15 126.07 30.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 49' ' ' VAL . 44.9 t30 -75.43 165.86 24.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' VAL . 59.8 p -129.32 178.76 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.06 -19.75 26.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.37 -38.85 21.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 50' ' ' LYS . 23.8 t -122.96 162.1 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' CD ' HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -123.73 116.5 23.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.58 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.6 m-85 -90.85 116.33 28.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.446 HG21 ' CD ' ' A' ' 50' ' ' LYS . 6.2 t -114.9 98.34 6.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 90.1 m -94.81 150.33 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.269 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.55 168.72 25.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 108.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -131.25 29.79 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.5 p -112.11 135.98 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.04 118.25 7.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.639 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 11.5 mtp180 76.39 36.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 56' ' ' THR . 2.6 p -76.03 -32.67 59.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 40.1 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -104.46 117.72 34.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.6 m -113.63 152.04 30.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -102.83 168.47 9.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' CE ' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -92.95 -160.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.513 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 5.3 tp -55.53 -23.77 28.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.233 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.4 t -114.96 119.23 39.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -57.51 47.56 0.05 OUTLIER 'Trans proline' 0 CA--C 1.569 2.246 0 N-CA-C 120.086 3.072 . . . . 0.0 120.086 166.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -128.08 -44.68 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.415 ' HB3' ' CE ' ' A' ' 5' ' ' LYS . . . -111.58 134.85 52.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -155.21 149.21 25.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -133.75 -173.84 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.61 126.43 33.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.373 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.0 m -66.42 108.16 2.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 108.253 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -61.92 -174.75 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.168 0 N-CA-C 120.096 3.076 . . . . 0.0 120.096 -172.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -55.28 116.17 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.247 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.99 -35.93 3.62 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -128.08 111.86 13.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -114.24 -22.72 9.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 8.7 mt -95.09 155.65 16.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.451 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 m -116.99 147.41 42.33 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.492 1.12 . . . . 0.0 108.359 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.57 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 5.9 p90 -143.76 159.46 42.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.597 1.185 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.481 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -145.84 113.99 6.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.362 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.57 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -89.42 132.58 34.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 47.5 m-85 -115.22 119.34 36.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.532 ' O ' ' N ' ' A' ' 28' ' ' SER . 1.2 tmm? -84.51 154.07 22.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 111.014 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 61.0 -72.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.4 m -141.63 154.61 45.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.26 -22.47 14.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.1 mt -45.8 -25.86 0.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.8 p -106.02 -175.66 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 110.418 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.0 146.24 98.11 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.5 Cg_endo -65.25 -167.63 0.1 Allowed 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.061 3.062 . . . . 0.0 120.061 -173.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 24' ' ' MET . 3.3 m -120.83 -44.22 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -147.12 154.08 40.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.513 ' CZ ' ' O ' ' A' ' 6' ' ' LEU . 3.6 ptp180 -165.79 131.14 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.46 -155.34 6.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.1 m -108.27 159.71 16.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 tt -160.48 177.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -114.25 -35.71 4.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.0 t -137.06 128.12 41.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -64.14 119.12 52.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 108.342 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -62.75 172.29 4.85 Favored 'Trans proline' 0 CA--C 1.567 2.135 0 N-CA-C 120.143 3.093 . . . . 0.0 120.143 164.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -75.21 126.3 30.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 46' ' ' SER . 37.3 t30 -75.25 165.25 25.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.424 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 66.5 p -121.3 178.07 4.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.973 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.34 -16.01 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -94.3 -24.44 17.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.5 t -130.06 165.16 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -127.4 116.17 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.501 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.3 m-85 -91.77 100.78 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.422 HG22 ' CD1' ' A' ' 25' ' ' PHE . 2.1 t -102.19 100.06 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.52 152.65 18.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.152 . . . . 0.0 108.233 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.49 169.58 23.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 108.303 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.457 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 3.5 p30 -132.94 23.18 4.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.9 p -104.95 137.46 42.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.401 1.063 . . . . 0.0 110.403 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -62.22 119.26 8.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 74.66 37.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.9 p -76.05 -36.06 59.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 108.292 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.481 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 36.1 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.17 114.34 28.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -109.4 151.2 26.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.333 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -101.26 162.34 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -86.11 -158.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.05 -39.47 42.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.3 t -102.99 133.5 20.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -60.58 56.03 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.199 0 N-CA-C 120.113 3.082 . . . . 0.0 120.113 162.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -138.07 -56.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.458 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -97.3 129.65 44.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.652 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 51.5 p90 -151.71 149.21 28.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -134.71 -175.85 4.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.01 128.85 34.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.415 1.072 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.0 m -74.24 110.42 9.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 108.264 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -60.33 -175.08 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.209 0 N-CA-C 120.154 3.098 . . . . 0.0 120.154 -170.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.07 124.4 16.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.355 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.9 -43.6 1.67 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.87 109.25 18.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.453 ' O ' ' CD1' ' A' ' 1' ' ' LEU . 64.2 t30 -127.05 19.11 7.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mt -126.33 136.01 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -106.26 131.0 54.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 4.8 p90 -129.97 164.65 23.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -146.12 112.9 6.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.414 1.071 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.481 ' HG2' ' CZ ' ' A' ' 51' ' ' TYR . 19.2 mtp -84.73 128.72 34.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 72.1 m-85 -112.34 116.98 31.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.49 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.4 OUTLIER -87.99 158.99 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.384 1.053 . . . . 0.0 111.003 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 54.95 -83.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.6 m -137.22 127.03 25.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.98 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -71.7 -22.93 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.9 mt -42.74 -27.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 29' ' ' ASP . 68.0 p -106.65 176.37 5.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.416 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.08 148.43 29.45 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.599 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 58.4 Cg_endo -64.41 -172.11 0.18 Allowed 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.166 3.102 . . . . 0.0 120.166 -177.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 6.5 m -121.81 -41.97 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -145.05 152.33 39.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.95 129.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 110.267 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.81 -156.59 8.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.561 1.163 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.2 m -101.99 163.56 12.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 tt -165.31 177.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -113.8 -36.29 4.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.6 p -132.92 132.07 59.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -64.75 119.85 61.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 108.311 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.563 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 31.2 Cg_exo -57.9 163.29 9.66 Favored 'Trans proline' 0 CA--C 1.567 2.129 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 165.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -75.46 141.16 43.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.453 ' OD1' ' HB2' ' A' ' 51' ' ' TYR . 4.1 m-20 -73.82 -173.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.1 p -150.25 -178.34 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -97.68 -2.78 40.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.483 ' C ' ' CG2' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -128.49 7.22 5.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.383 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.483 ' CG2' ' C ' ' A' ' 48' ' ' LEU . 1.4 t -153.31 163.78 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.07 118.35 8.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 43' ' ' PRO . 11.8 m-85 -92.82 128.62 38.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 6.4 t -121.63 96.12 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 45.0 m -93.78 153.04 18.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.294 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.98 173.72 16.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -131.2 22.28 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.453 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 41.1 p -107.75 138.08 44.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' N ' HD21 ' A' ' 1' ' ' LEU . 14.3 m-20 -61.21 120.61 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.652 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 23.2 mtp180 71.73 40.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.348 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.2 p -75.6 -35.64 60.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.277 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 44.7 p30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -107.88 110.08 21.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.1 m -106.2 149.18 27.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.076 . . . . 0.0 108.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -104.67 166.75 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -160.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tp -49.67 -33.07 14.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.601 1.188 . . . . 0.0 109.275 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.411 ' CG1' HG23 ' A' ' 9' ' ' ILE . 63.3 t -112.82 123.35 33.95 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -58.71 42.13 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.078 3.068 . . . . 0.0 120.078 166.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.449 HG21 ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -116.94 -33.32 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.449 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -127.47 130.45 49.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 5.5 p90 -148.81 157.01 43.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.964 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.02 -177.61 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.86 125.29 32.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.558 1.161 . . . . 0.0 110.449 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.6 m -75.15 106.45 2.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 108.346 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -61.32 -175.03 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.177 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 -168.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -55.49 120.23 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.46 -41.56 1.96 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -124.65 104.53 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 0.0 109.212 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -118.63 21.79 12.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.9 mt -127.27 135.85 51.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.463 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -107.23 126.21 52.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.3 p90 -124.34 160.36 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HB3' ' CB ' ' A' ' 36' ' ' ARG . 7.5 pttt -145.18 111.79 5.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.592 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.3 mpp? -84.69 133.4 34.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 7.0 m-85 -117.96 116.81 27.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -86.77 155.47 20.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.95 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.47 ' C ' ' O ' ' A' ' 26' ' ' MET . 0.2 OUTLIER 30.45 87.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.8 m 65.65 139.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -103.03 -12.39 17.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.8 mt -45.08 -26.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' ASP . 36.1 p -102.07 177.43 4.89 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.579 1.175 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.72 140.07 96.16 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.575 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 38.4 Cg_endo -58.32 -170.03 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 120.106 3.079 . . . . 0.0 120.106 -171.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m -114.44 -46.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.29 156.62 43.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.426 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -166.09 128.93 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.09 -154.91 6.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -106.29 164.12 12.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.5 tt -165.49 175.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -104.63 -36.72 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.357 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 42' ' ' CYS . 94.0 t -141.36 141.24 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.428 ' N ' HG12 ' A' ' 41' ' ' VAL . 5.9 t -64.49 119.1 53.89 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 108.25 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.44 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 24.1 Cg_exo -60.7 -170.62 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.126 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 166.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -176.46 3.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -163.87 140.56 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.1 p -114.44 -172.66 2.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.22 -11.05 53.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.75 -36.2 17.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 t -120.37 167.26 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -137.29 107.2 6.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.588 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 6.3 m-85 -85.2 93.57 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.4 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 1.6 t -90.47 100.95 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 98.7 m -94.48 153.15 18.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 108.272 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -154.91 170.85 20.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 108.224 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -134.92 22.77 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.339 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 15.3 p -105.75 137.41 43.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 10.4 m-20 -62.32 118.21 7.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.41 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 3.3 mtt180 77.48 35.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.5 p -75.91 -36.97 59.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 48.2 p30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -109.47 116.82 32.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -112.07 142.93 43.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 108.247 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -96.1 165.01 12.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.483 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -88.11 -163.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 4.5 tp -49.29 -27.8 4.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.2 t -110.13 131.48 21.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -61.47 57.21 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.136 0 N-CA-C 120.071 3.066 . . . . 0.0 120.071 162.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -145.35 -50.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.365 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.483 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -99.59 126.98 45.68 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -148.79 161.5 41.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -145.23 -177.1 5.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.43 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -84.7 123.73 30.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.2 m -70.37 104.12 0.77 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 108.321 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -60.07 -174.85 0.1 OUTLIER 'Trans proline' 0 CA--C 1.568 2.186 0 N-CA-C 120.231 3.127 . . . . 0.0 120.231 -165.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -54.88 125.91 22.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.48 -43.9 1.58 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -111.95 101.66 9.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.372 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -118.06 23.56 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.425 1.078 . . . . 0.0 109.356 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.5 mt -129.88 139.34 51.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.1 m -109.57 131.03 55.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 108.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.527 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 3.4 p90 -130.42 161.73 30.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HG3' ' HB ' ' A' ' 52' ' ' VAL . 23.5 pttt -145.69 110.77 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.597 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -84.46 131.29 34.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.886 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.515 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 34.6 m-85 -115.4 119.27 35.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -85.44 155.94 21.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.9 mtp 59.06 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.8 m -140.67 145.31 36.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -90.79 -23.85 20.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.2 mt -42.71 -27.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.225 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 29' ' ' ASP . 53.8 p -108.45 177.85 4.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.36 144.73 77.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.515 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 61.3 Cg_endo -66.37 -165.98 0.1 Allowed 'Trans proline' 0 CA--C 1.567 2.163 0 N-CA-C 120.166 3.102 . . . . 0.0 120.166 -175.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 2.4 m -118.42 -46.92 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' CE ' ' HE1' ' A' ' 24' ' ' MET . 0.6 OUTLIER -146.53 156.04 42.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' NE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.03 135.82 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.7 -156.74 8.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.76 164.19 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.467 HD12 ' CG ' ' A' ' 43' ' ' PRO . 2.1 tt -165.43 175.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -108.42 -32.58 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.5 p -141.66 141.63 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.8 t -64.56 116.43 28.62 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.279 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.576 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 39.6 Cg_exo -57.12 -165.52 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.14 3.092 . . . . 0.0 120.14 170.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -176.43 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.09 129.8 2.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 49' ' ' VAL . 36.6 p -121.04 -171.33 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -91.06 -24.75 19.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.01 -26.42 48.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 46' ' ' SER . 2.0 t -128.88 167.76 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -140.34 118.61 12.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.597 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 9.3 m-85 -97.93 96.47 8.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.41 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 2.2 t -91.2 99.29 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 75.1 m -94.9 150.39 20.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 108.312 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.93 171.02 20.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 108.268 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -135.02 27.82 3.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.508 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 17.4 p -112.8 141.67 46.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -63.11 123.6 19.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 70.54 36.49 1.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.403 1.064 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 56' ' ' THR . 5.7 p -76.28 -38.7 55.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 108.279 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.423 ' ND2' ' HD3' ' A' ' 36' ' ' ARG . 40.9 p-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -107.72 114.88 29.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 m -112.14 151.2 29.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 108.272 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -99.6 163.98 12.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -90.03 -155.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -50.84 -42.16 58.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.3 t -102.98 133.56 20.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -60.9 56.88 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.125 0 N-CA-C 120.166 3.102 . . . . 0.0 120.166 162.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.5 tp -137.87 -55.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.478 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -100.54 129.22 46.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -147.28 153.48 39.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.72 -178.61 5.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.55 126.05 33.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.0 m -73.82 110.88 10.16 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 108.323 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -59.18 -174.79 0.08 OUTLIER 'Trans proline' 0 CA--C 1.569 2.239 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 -168.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -54.74 127.24 27.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.65 -39.4 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -109.13 88.48 2.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -112.64 20.52 16.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.0 mt -126.31 144.48 50.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.482 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.2 m -115.39 140.2 49.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.548 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 3.0 p90 -140.88 164.41 30.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.146 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -146.04 119.29 8.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.485 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -91.75 125.39 36.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.651 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.6 m-85 -110.37 118.3 35.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.478 ' O ' ' C ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -88.15 156.23 19.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.478 ' C ' ' O ' ' A' ' 26' ' ' MET . 0.0 OUTLIER 31.23 84.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.1 m 65.08 139.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.471 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -103.02 -16.32 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.2 mt -42.86 -27.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.446 ' N ' ' C ' ' A' ' 29' ' ' ASP . 67.0 p -94.05 -155.89 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -87.26 152.12 52.25 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.651 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 57.7 Cg_endo -63.73 177.68 1.68 Allowed 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 -178.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 24' ' ' MET . 12.2 m -117.64 -41.21 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' CG ' ' HB2' ' A' ' 24' ' ' MET . 4.2 ptmt -151.29 154.41 36.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.455 ' NH2' ' C ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -165.55 134.52 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.53 -158.47 8.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.79 165.28 11.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 tt -163.68 176.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.233 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -112.01 -36.79 5.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.0 t -137.09 126.95 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.75 119.42 57.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 108.291 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -63.03 172.67 4.67 Favored 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 164.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.42 127.16 32.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 46' ' ' SER . 45.3 t30 -75.28 165.86 24.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.404 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 7.6 p -124.33 -172.44 2.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 tp -97.8 -35.34 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.67 -6.9 58.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 t -145.38 165.97 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -132.43 125.93 31.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.431 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.5 m-85 -102.25 109.05 20.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 t -109.04 99.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 80.0 m -94.4 153.16 18.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.254 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.38 171.39 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -134.49 24.6 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.347 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.467 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 49.2 p -109.47 137.28 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.396 1.06 . . . . 0.0 110.455 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -61.3 119.57 8.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 74.62 38.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.482 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 3.2 p -75.39 -41.43 56.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 108.281 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 40.2 p-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -108.17 116.93 32.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 m -113.53 148.25 36.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 108.24 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -99.26 165.84 11.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.475 ' CD ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -93.45 -156.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.452 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 7.6 tt -50.18 -35.46 26.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 79.4 t -107.84 129.35 24.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -60.24 53.21 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 163.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 6.0 tp -135.64 -49.5 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' HB2' ' CD ' ' A' ' 5' ' ' LYS . . . -104.28 132.61 50.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -151.06 154.6 37.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -133.48 -174.69 3.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.345 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.26 123.94 33.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.7 m -73.38 106.13 2.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 108.341 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -59.76 -176.2 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.089 3.073 . . . . 0.0 120.089 -168.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.15 123.66 14.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.27 -38.25 3.39 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -118.44 96.26 5.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 0.737 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -113.51 22.64 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.2 mt -130.02 142.34 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 5.1 m -114.13 125.48 54.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 108.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.584 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 4.1 p90 -123.5 162.18 23.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.492 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 17.9 pttt -145.98 110.36 5.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -84.12 131.6 34.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.067 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.472 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 26.1 m-85 -115.72 121.44 42.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.559 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -87.0 152.76 22.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.41 ' HB2' ' O ' ' A' ' 26' ' ' MET . 1.4 mmt 62.54 -67.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.0 t -146.17 156.52 43.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 109.961 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.448 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -101.64 -35.05 9.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.5 mt -40.73 -29.33 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.448 ' N ' ' C ' ' A' ' 29' ' ' ASP . 32.1 p -89.38 -152.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -103.67 139.33 20.0 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.472 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 58.1 Cg_endo -64.39 -167.04 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.106 3.079 . . . . 0.0 120.106 -164.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.488 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 2.3 m -118.64 -46.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -147.73 155.49 41.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -165.89 131.55 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.217 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.03 -153.85 6.41 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -107.33 164.24 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.464 HD13 ' CG ' ' A' ' 43' ' ' PRO . 2.2 tt -165.66 176.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -105.04 -33.25 8.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.6 p -143.99 144.86 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.371 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.42 116.43 28.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 0.0 108.294 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 31.5 Cg_exo -58.38 -163.7 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.198 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 169.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -67.93 -175.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.86 129.05 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.232 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.8 p -114.5 -177.02 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.521 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -88.89 -19.25 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.43 -32.26 26.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.28 165.58 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.75 119.39 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.577 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 7.4 m-85 -96.9 89.17 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.414 HG23 ' CD1' ' A' ' 25' ' ' PHE . 1.6 t -84.83 99.63 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.1 m -94.39 153.07 18.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.383 1.052 . . . . 0.0 108.347 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.82 169.26 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -132.99 28.11 4.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.257 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 68.4 p -113.72 138.71 49.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -61.85 119.04 8.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 76.42 38.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.282 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.5 p -76.02 -42.61 47.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 108.348 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.492 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 41.5 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.345 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.418 ' CD2' ' C ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -107.0 113.3 26.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.6 m -107.94 149.13 28.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 108.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.74 165.58 11.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.426 ' HE3' ' CB ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -86.63 -156.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.223 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tt -51.08 -38.88 54.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.0 t -103.35 132.8 20.74 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -60.88 59.66 0.09 OUTLIER 'Trans proline' 0 CA--C 1.566 2.111 0 N-CA-C 120.09 3.073 . . . . 0.0 120.09 162.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.1 tp -137.66 -56.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' CB ' ' HE3' ' A' ' 5' ' ' LYS . . . -101.07 136.76 40.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -153.86 150.77 28.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.065 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -131.01 -177.99 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.59 125.15 32.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.434 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -72.52 108.37 4.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.298 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -59.81 -174.81 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.198 0 N-CA-C 120.097 3.076 . . . . 0.0 120.097 -168.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -54.8 126.04 22.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.48 -38.38 3.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -117.87 104.35 10.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.749 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.408 ' O ' ' CD1' ' A' ' 1' ' ' LEU . 34.8 t30 -123.13 15.84 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.4 mt -121.91 143.8 49.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.46 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.8 m -112.72 142.37 45.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 108.313 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.6 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.1 p90 -142.37 159.63 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 7.3 pttt -145.89 113.89 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.6 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -89.96 131.51 35.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.628 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 76.0 m-85 -113.12 123.52 50.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.552 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -87.1 154.32 20.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.46 ' HG3' ' CE ' ' A' ' 26' ' ' MET . 0.2 OUTLIER 62.91 -66.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.552 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.2 m -152.78 153.7 33.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.22 -23.71 18.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.2 mt -47.13 -25.35 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.3 p -105.11 -178.6 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.458 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.65 149.0 97.85 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.6 Cg_endo -65.71 -177.16 0.67 Allowed 'Trans proline' 0 CA--C 1.567 2.126 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 -177.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 2.9 m -117.15 -45.97 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -145.27 153.17 41.01 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.14 132.75 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.76 -161.2 10.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.6 m -98.46 164.72 12.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 tt -165.59 177.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -114.14 -34.76 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.5 p -136.77 129.94 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.97 115.72 21.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 108.336 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -57.7 179.09 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 170.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -75.41 128.86 36.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.481 HD21 ' N ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -75.3 158.51 32.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.481 ' N ' HD21 ' A' ' 45' ' ' ASN . 96.5 p -124.01 169.68 11.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.909 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.506 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -90.39 -18.53 25.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' CD1' ' HE3' ' A' ' 26' ' ' MET . 0.2 OUTLIER -94.95 -20.28 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 t -132.44 157.73 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.22 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -122.05 122.25 38.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.541 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 7.5 m-85 -97.16 116.72 29.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.8 t -114.63 98.71 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 99.7 m -94.5 149.9 20.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.294 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.77 172.05 18.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 108.319 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.418 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 31.7 p-10 -134.72 23.42 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.6 p -104.84 137.05 43.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 13.3 m-20 -62.2 118.99 8.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.17 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' HG3' ' C ' ' A' ' 57' ' ' ASP . 3.0 mtm180 75.01 37.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.3 p -75.81 -36.78 59.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.339 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.463 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 42.1 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.398 1.061 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -112.03 115.19 28.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -110.93 145.77 37.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.356 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.418 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.3 m-20 -96.84 172.21 8.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.473 ' CD ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -93.82 -157.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HG ' ' NH2' ' A' ' 36' ' ' ARG . 2.2 tp -52.77 -29.43 27.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.6 t -111.74 129.82 23.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -60.55 48.53 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 163.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 10' ' ' ALA . 3.6 tp -129.62 -50.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.473 ' HB2' ' CD ' ' A' ' 5' ' ' LYS . . . -105.16 128.54 53.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.638 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 43.6 p90 -150.59 154.43 37.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -137.68 -176.83 4.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.613 1.196 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.93 127.8 34.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.394 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.1 m -74.04 106.37 2.47 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 108.333 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -60.64 -174.99 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 -167.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -55.33 120.17 6.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.42 -38.57 2.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 104.61 8.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -117.75 20.45 13.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.6 mt -127.91 144.92 51.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.459 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -114.31 140.49 48.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 108.337 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.565 ' CD1' ' HE3' ' A' ' 24' ' ' MET . 3.1 p90 -137.24 163.61 30.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.17 115.53 7.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.569 ' HE1' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -88.36 130.91 35.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.602 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 38.2 m-85 -117.2 117.18 28.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.528 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -86.72 155.25 20.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.37 -73.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.9 m -141.34 150.14 42.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.409 1.068 . . . . 0.0 110.048 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.431 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -99.58 -21.35 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.8 mt -44.14 -26.91 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.431 ' N ' ' C ' ' A' ' 29' ' ' ASP . 44.2 p -107.83 -176.21 3.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 110.361 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.84 145.45 97.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.602 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.0 Cg_endo -65.31 -169.09 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.111 3.081 . . . . 0.0 120.111 -175.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 24' ' ' MET . 2.8 m -115.12 -42.47 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -147.88 158.82 44.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.421 ' NH2' ' HG ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -165.59 133.96 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.71 -153.66 6.65 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 m -110.42 164.79 12.34 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.464 HD13 ' CG ' ' A' ' 43' ' ' PRO . 2.8 tt -164.44 175.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.489 1.118 . . . . 0.0 109.23 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -107.01 -40.68 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.229 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.401 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 9.8 p -135.34 137.09 50.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.17 115.19 17.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.272 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.464 ' CG ' HD13 ' A' ' 39' ' ' ILE . 21.1 Cg_exo -63.01 -165.72 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.071 3.066 . . . . 0.0 120.071 170.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -74.54 -175.17 2.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -163.57 135.08 4.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.7 p -105.03 -173.68 2.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.929 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.411 ' N ' HD21 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -88.97 -17.64 29.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.63 -28.24 26.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 t -123.85 167.69 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -137.87 112.52 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.569 ' CE2' ' HE1' ' A' ' 24' ' ' MET . 4.7 m-85 -89.99 99.64 12.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 25' ' ' PHE . 2.0 t -99.9 102.44 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.0 m -94.1 153.52 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.269 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -154.55 171.71 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 108.292 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -136.29 20.58 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 34.2 p -104.43 136.72 43.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 11.4 m-20 -62.07 117.87 6.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.638 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 27.1 mtp180 78.63 36.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.2 p -76.07 -37.57 58.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' C ' ' OD1' ' A' ' 60' ' ' ASN . 38.3 p-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.69 112.25 24.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.6 m -108.32 143.68 36.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 108.237 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -97.89 174.59 6.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -94.35 -160.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -49.84 -37.65 31.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 56.1 t -102.77 131.18 22.54 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.55 57.31 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.18 3.108 . . . . 0.0 120.18 163.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.7 tp -136.48 -56.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -100.92 132.83 46.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.438 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 40.4 p90 -151.37 152.28 32.9 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.13 -175.31 3.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.91 128.31 35.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.3 m -74.38 114.79 37.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.337 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -60.99 -179.89 0.33 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.129 3.088 . . . . 0.0 120.129 -173.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.0 122.04 12.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.92 -39.3 2.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.394 1.059 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.39 105.3 10.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -116.25 15.38 15.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.8 mt -122.44 142.96 50.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.7 m -114.81 134.84 54.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 108.318 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.4 p90 -135.42 161.54 35.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' O ' ' CE1' ' A' ' 25' ' ' PHE . 7.4 pttt -145.76 119.5 9.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.57 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -94.53 130.04 41.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.614 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 16.3 m-85 -117.03 128.87 55.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.493 ' O ' ' C ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -84.78 157.47 20.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.566 ' O ' ' CB ' ' A' ' 28' ' ' SER . 3.9 mmm 29.84 71.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 27' ' ' MET . 2.1 t 90.33 151.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.932 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.484 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -110.23 -34.02 6.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' ASP . 48.5 mt -39.8 -29.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.447 ' N ' ' C ' ' A' ' 29' ' ' ASP . 47.5 p -78.14 -161.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -96.35 146.2 30.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.614 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 57.3 Cg_endo -63.55 162.58 27.19 Favored 'Trans proline' 0 CA--C 1.567 2.14 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -171.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.8 m -105.88 -39.53 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.087 . . . . 0.0 109.255 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.34 150.15 26.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.474 ' CZ ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -156.37 169.0 25.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' HA2' ' NH1' ' A' ' 36' ' ' ARG . . . 172.97 -169.08 42.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 m -96.9 165.77 11.94 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 tt -165.26 174.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -108.95 -41.11 4.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.0 129.34 54.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.6 1.187 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.8 t -64.17 118.83 50.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.382 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -62.71 171.82 5.34 Favored 'Trans proline' 0 CA--C 1.567 2.145 0 N-CA-C 120.066 3.064 . . . . 0.0 120.066 165.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -75.11 125.89 29.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 46' ' ' SER . 39.7 t30 -75.37 165.33 25.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.454 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 95.5 p -119.98 -174.29 2.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.23 -23.11 17.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.93 -41.19 16.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.06 164.51 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 109.222 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.37 119.23 25.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.8 m-85 -92.05 110.9 22.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.169 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.7 t -110.52 100.38 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.0 m -98.29 152.03 19.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 108.213 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.55 169.64 23.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -131.53 27.13 4.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.375 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.524 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.5 p -112.23 141.3 46.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.142 . . . . 0.0 110.352 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 21.0 m-20 -63.89 126.74 28.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.4 ' HG3' ' C ' ' A' ' 57' ' ' ASP . 13.1 mtm180 67.29 35.54 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 56' ' ' THR . 6.2 p -75.99 -26.31 56.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.3 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 52.7 p30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 109.317 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -102.44 116.5 32.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 m -112.8 143.98 43.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 108.342 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -99.09 161.09 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.467 ' CD ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -85.39 -164.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tp -48.95 -29.17 4.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.2 t -109.96 128.14 25.89 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -60.26 56.45 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.079 3.069 . . . . 0.0 120.079 163.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.401 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -140.49 -46.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.467 ' HB3' ' CD ' ' A' ' 5' ' ' LYS . . . -105.13 133.59 49.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -155.84 151.95 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -136.61 -177.18 4.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.91 119.68 25.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.5 m -66.13 104.88 0.66 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 108.28 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -60.1 -175.52 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.197 0 N-CA-C 120.113 3.082 . . . . 0.0 120.113 -166.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -54.88 126.5 24.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.269 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.13 -42.67 1.88 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.415 1.072 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -118.0 104.61 11.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -122.4 22.72 9.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.0 mt -127.83 125.31 39.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.6 m -96.5 133.77 40.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CE1' ' HE3' ' A' ' 24' ' ' MET . 2.4 p90 -133.4 164.62 26.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.615 1.197 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.14 122.38 10.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.654 ' CE ' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -91.86 127.46 37.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.631 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 79.1 m-85 -112.82 115.54 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.938 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -85.66 157.95 20.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.055 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.4 mmm 57.88 -79.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.7 m -143.6 133.54 24.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -73.68 -24.41 59.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.9 mt -43.3 -27.62 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.108 . . . . 0.0 109.217 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 29' ' ' ASP . 69.4 p -106.33 177.3 4.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.447 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.409 HG21 ' N ' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -55.59 150.69 24.34 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.631 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 58.9 Cg_endo -64.93 -176.83 0.49 Allowed 'Trans proline' 0 CA--C 1.567 2.144 0 N-CA-C 120.107 3.08 . . . . 0.0 120.107 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 26' ' ' MET . 5.4 m -119.63 -42.84 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.03 157.34 43.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' NE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -167.42 139.23 3.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.54 -166.71 23.92 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.394 1.059 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -95.29 166.03 12.1 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.5 tt -165.35 176.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -113.42 -36.77 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.5 p -133.84 130.35 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -67.44 119.79 68.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 108.298 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -65.34 161.94 35.7 Favored 'Trans proline' 0 CA--C 1.567 2.174 0 N-CA-C 120.125 3.087 . . . . 0.0 120.125 164.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -75.32 127.41 33.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.449 ' ND2' ' HA ' ' A' ' 50' ' ' LYS . 47.7 t30 -75.11 166.3 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.3 p -119.74 -174.17 2.69 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.413 1.071 . . . . 0.0 110.001 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.531 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -94.12 -6.74 44.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.37 -14.67 15.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.9 t -135.29 168.15 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -138.57 107.57 6.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.654 ' CE2' ' CE ' ' A' ' 24' ' ' MET . 4.4 m-85 -84.48 131.97 34.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.4 t -127.53 98.89 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 84.5 m -94.01 149.1 21.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.264 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -154.71 170.73 20.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 0.0 108.345 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -133.08 22.99 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 11.8 p -105.7 137.71 43.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' C ' ' CG ' ' A' ' 58' ' ' ARG . 18.7 m-20 -61.73 119.8 9.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.423 ' CG ' ' C ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER 73.52 37.7 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 110.225 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' THR . 4.3 p -75.77 -32.53 59.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 108.327 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.425 ' C ' ' OD1' ' A' ' 60' ' ' ASN . 40.9 p-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -110.81 113.78 26.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 m -111.58 147.57 35.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.348 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.439 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -98.89 175.34 5.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.471 ' CD ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.96 -162.15 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.96 -32.42 14.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.2 t -107.83 132.15 21.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -61.95 60.99 0.12 Allowed 'Trans proline' 0 CA--C 1.568 2.215 0 N-CA-C 120.117 3.083 . . . . 0.0 120.117 162.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -140.4 -48.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.471 ' HB3' ' CD ' ' A' ' 5' ' ' LYS . . . -109.51 133.02 53.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.454 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 43.3 p90 -154.14 148.08 25.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -132.35 -173.21 3.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.68 129.82 34.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.6 m -71.82 111.59 11.07 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.499 1.124 . . . . 0.0 108.234 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -61.68 -174.92 0.14 Allowed 'Trans proline' 0 CA--C 1.567 2.173 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 -172.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.19 116.22 3.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.31 -39.45 2.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -120.92 111.78 17.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.245 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -115.35 -14.96 11.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.435 1.085 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 22.8 mt -101.04 158.61 15.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.451 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -121.07 148.96 43.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 108.339 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.449 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 21.4 p90 -145.42 159.28 43.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HD3' ' CB ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -145.98 116.32 7.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.548 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -91.23 132.1 36.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.6 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 82.0 m-85 -116.16 118.97 34.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.56 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -84.62 155.93 21.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.19 -78.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.4 m -132.85 151.02 52.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.956 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -100.47 -21.66 15.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 mt -44.54 -26.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.409 ' N ' ' C ' ' A' ' 29' ' ' ASP . 62.6 p -106.22 -178.19 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -58.92 151.77 53.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.0 Cg_endo -64.63 -174.0 0.26 Allowed 'Trans proline' 0 CA--C 1.567 2.16 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.6 m -119.69 -42.35 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -149.82 157.27 43.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.27 171.75 11.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.422 ' HA2' ' NH1' ' A' ' 36' ' ' ARG . . . 165.92 -166.63 38.75 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -99.27 154.43 18.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 tt -154.4 178.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -114.43 -39.63 3.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.3 t -131.98 127.71 58.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.47 119.17 54.46 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 108.244 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -62.09 168.15 9.59 Favored 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.119 3.084 . . . . 0.0 120.119 164.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -74.14 125.29 28.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.23 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 46' ' ' SER . 38.4 t30 -75.5 164.51 26.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.454 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 85.0 p -126.26 -178.45 4.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.477 ' CD2' HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -90.55 -24.41 20.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.477 HD23 ' CD2' ' A' ' 47' ' ' LEU . 3.7 mm? -81.1 -34.91 32.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.21 162.77 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -125.85 117.51 23.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.548 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.8 m-85 -92.41 118.51 31.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.5 t -118.26 99.08 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 79.7 m -94.0 151.95 19.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.17 172.07 18.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 108.292 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.434 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 36.2 p-10 -135.45 21.36 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 56.8 p -105.81 138.57 41.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 22.7 m-20 -62.69 121.22 12.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.454 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 19.7 mtp180 73.83 37.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' THR . 2.8 p -75.72 -34.71 60.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 108.315 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.455 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 45.0 p30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.439 ' CD1' ' O ' ' A' ' 19' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -103.78 106.95 17.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -104.34 147.36 27.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.253 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.81 168.57 10.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -91.55 -157.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.412 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 4.0 tt -49.71 -38.06 31.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.6 t -103.87 132.34 21.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -61.03 56.61 0.1 OUTLIER 'Trans proline' 0 CA--C 1.567 2.161 0 N-CA-C 120.189 3.111 . . . . 0.0 120.189 162.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -141.85 -47.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.42 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -103.77 126.06 50.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -144.98 155.93 43.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 111.06 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.92 -177.48 4.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.84 122.04 29.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.8 m -71.33 108.45 3.87 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 108.246 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -59.43 -175.78 0.1 OUTLIER 'Trans proline' 0 CA--C 1.568 2.214 0 N-CA-C 120.129 3.088 . . . . 0.0 120.129 -168.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -55.43 126.35 24.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.23 -44.22 1.55 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -112.28 98.9 7.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 0.731 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.439 ' O ' ' CD1' ' A' ' 1' ' ' LEU . 29.4 t30 -114.61 30.42 7.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.1 mt -139.07 146.74 41.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.494 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.4 m -115.81 136.59 52.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.334 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.601 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.4 p90 -135.3 161.23 36.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 1.9 pttt -145.76 115.46 7.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.601 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.3 mpp? -92.53 131.75 37.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.625 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 52.4 m-85 -115.85 125.32 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.549 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -83.55 153.59 24.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.0 mmm 61.93 -66.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -145.35 160.09 42.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -102.15 -32.55 10.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mt -45.57 -26.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.424 ' N ' ' C ' ' A' ' 29' ' ' ASP . 62.5 p -89.65 -156.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -94.09 148.21 34.77 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.625 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 58.0 Cg_endo -64.31 175.24 3.48 Favored 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -174.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.1 m -118.55 -43.88 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 2.0 tptt -147.36 145.98 29.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.367 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' N ' ' HG3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -160.31 140.39 11.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.14 . . . . 0.0 110.243 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.4 -156.15 8.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.8 m -105.31 165.59 11.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 tt -165.65 175.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 41' ' ' VAL . 12.5 p-10 -111.49 -39.87 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.417 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 8.5 p -134.3 128.43 52.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 t -64.41 118.71 49.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 108.351 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -63.53 173.04 4.78 Favored 'Trans proline' 0 CA--C 1.569 2.242 0 N-CA-C 120.11 3.081 . . . . 0.0 120.11 165.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -75.21 127.33 32.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -74.72 165.62 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.9 p -115.92 -172.58 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.939 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.87 -28.52 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.14 -38.09 19.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.8 t -106.29 168.22 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -133.3 113.41 12.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.58 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.3 m-85 -88.74 115.19 26.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 111.066 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.0 t -116.44 98.72 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.1 m -94.06 153.29 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.314 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.5 171.48 19.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -136.1 27.97 3.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 76.3 p -112.81 138.26 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -61.72 119.93 9.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 73.83 39.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 2.3 p -76.14 -37.32 58.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.464 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 40.2 p-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -99.96 111.04 23.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.2 m -104.31 151.21 23.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 108.328 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -101.33 160.6 14.28 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.484 ' CE ' ' HB2' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -86.49 -160.68 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.45 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -50.66 -31.91 17.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.342 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.1 t -108.95 131.14 21.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.387 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HG3' ' NH2' ' A' ' 36' ' ' ARG . 24.3 Cg_exo -60.44 47.88 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.195 0 N-CA-C 120.097 3.076 . . . . 0.0 120.097 163.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 tp -131.07 -48.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.484 ' HB2' ' CE ' ' A' ' 5' ' ' LYS . . . -103.67 132.07 50.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -155.14 147.8 24.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.92 179.43 6.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.31 122.47 28.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.5 m -69.21 108.97 3.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 108.325 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -61.01 -174.54 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.165 3.102 . . . . 0.0 120.165 -171.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -54.63 124.79 17.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.55 -39.27 2.89 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -128.22 106.46 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.797 . . . . 0.0 109.284 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.46 ' O ' ' CD1' ' A' ' 1' ' ' LEU . 41.8 t30 -120.06 15.4 12.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.6 mt -120.83 147.32 45.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.471 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 m -115.97 143.37 45.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.55 1.157 . . . . 0.0 108.347 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.611 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.0 p90 -142.84 157.67 44.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.458 1.099 . . . . 0.0 111.04 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.511 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -142.88 116.14 8.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.593 1.183 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.611 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -91.73 135.27 34.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.605 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 27.2 m-85 -117.55 119.49 35.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.513 ' O ' ' N ' ' A' ' 28' ' ' SER . 1.9 tmm? -83.74 153.86 23.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mmt 61.28 -73.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.4 m -139.49 154.11 47.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.548 1.155 . . . . 0.0 109.951 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -101.41 -22.11 14.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.5 mt -44.76 -26.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.404 ' N ' ' C ' ' A' ' 29' ' ' ASP . 55.0 p -105.85 -177.54 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -65.18 147.47 98.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.605 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.1 Cg_endo -65.37 -173.0 0.26 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 -175.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 m -115.68 -43.8 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.03 154.47 42.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -165.82 128.98 2.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.27 -156.28 7.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.565 1.166 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.2 m -105.37 165.29 11.23 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 tt -165.3 176.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 109.356 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -112.09 -40.73 4.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.5 t -135.08 129.51 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.416 1.073 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -67.79 119.66 68.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.329 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -63.73 176.86 2.06 Favored 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 164.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 128.04 34.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 46' ' ' SER . 44.5 t30 -75.86 166.22 23.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.425 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 89.4 p -124.92 177.36 6.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.05 -22.27 20.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.86 -27.0 27.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 46' ' ' SER . 19.2 t -129.05 166.91 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 24' ' ' MET . 24.5 tptt -128.14 116.48 20.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.418 ' CZ ' ' HE1' ' A' ' 24' ' ' MET . 3.9 m-85 -91.27 108.1 19.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.421 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 14.8 t -107.69 97.38 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 91.0 m -95.81 148.93 22.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 108.239 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -154.19 172.85 16.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 108.246 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -134.15 22.07 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.514 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 9.7 p -103.98 139.63 38.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 14.1 m-20 -63.35 124.31 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' HG3' ' C ' ' A' ' 57' ' ' ASP . 29.2 mtp180 69.17 36.17 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 56' ' ' THR . 5.0 p -76.12 -27.31 57.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 108.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.437 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 44.7 p-10 . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.729 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -103.84 113.3 26.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 m -110.52 144.9 38.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 108.273 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -97.97 169.72 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.7 -156.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 tp -50.86 -37.29 42.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.56 HG12 HG22 ' A' ' 9' ' ' ILE . 42.6 t -105.76 129.57 24.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.63 55.33 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.167 0 N-CA-C 120.183 3.109 . . . . 0.0 120.183 163.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.56 HG22 HG12 ' A' ' 7' ' ' VAL . 7.2 tp -134.87 -47.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -110.34 131.43 55.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.481 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 35.6 p90 -147.4 157.22 43.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.09 -178.36 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.3 121.99 28.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.7 m -69.5 106.05 1.36 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -59.59 -174.83 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.204 0 N-CA-C 120.067 3.064 . . . . 0.0 120.067 -165.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -54.81 124.38 16.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.49 -40.6 2.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -115.68 107.92 15.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 0.721 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.729 ' O ' HD13 ' A' ' 1' ' ' LEU . 54.1 t30 -121.96 15.49 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.249 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 40' ' ' ASP . 54.4 mt -121.4 143.22 49.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -115.75 131.84 56.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.241 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.6 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 4.3 p90 -131.12 162.15 30.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -145.9 114.64 6.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.6 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -90.41 129.02 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 111.026 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.682 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 82.4 m-85 -112.44 121.78 45.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 110.965 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.732 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -84.19 153.09 23.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.988 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.89 -67.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.052 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -148.4 159.03 44.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -100.19 -34.7 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.5 mt -42.98 -27.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.436 ' N ' ' C ' ' A' ' 29' ' ' ASP . 55.9 p -89.99 -154.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.465 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -98.03 145.46 29.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.682 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 56.4 Cg_endo -63.12 -173.1 0.15 Allowed 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -171.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.732 HG11 ' HB2' ' A' ' 26' ' ' MET . 4.7 m -126.36 -43.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -148.45 150.43 33.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.428 1.08 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.74 131.72 2.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 110.269 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.36 -152.08 5.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 4.6 m -108.37 164.76 12.04 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 tt -165.36 175.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.58 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.5 p-10 -109.05 -39.25 5.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.413 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 58.1 t -135.08 128.99 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.09 119.49 56.01 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 108.339 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 23.0 Cg_exo -61.37 171.5 4.17 Favored 'Trans proline' 0 CA--C 1.567 2.151 0 N-CA-C 120.101 3.077 . . . . 0.0 120.101 164.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -75.14 126.42 30.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 46' ' ' SER . 40.9 t30 -75.41 165.44 25.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.423 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 86.8 p -127.29 -179.55 4.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.024 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.9 -21.13 20.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.407 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -86.37 -27.1 24.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 14.5 t -131.19 160.32 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -122.16 117.68 26.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.55 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 6.3 m-85 -93.85 106.08 18.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.074 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.23 99.34 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 88.8 m -94.32 154.89 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.346 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.42 173.35 16.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.487 ' O ' HD11 ' A' ' 1' ' ' LEU . 6.0 p30 -135.91 20.31 3.26 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.494 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 41.6 p -105.08 140.35 38.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 1.146 . . . . 0.0 110.351 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -62.7 123.39 18.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.481 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 21.0 mtp180 70.52 38.54 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.263 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.9 p -76.43 -38.66 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 108.266 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.457 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 35.4 p-10 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -103.54 119.04 38.12 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -117.01 149.08 40.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 108.297 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -95.33 158.83 15.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.564 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -87.19 -156.82 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.495 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 6.3 tp -50.66 -30.61 14.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.5 HG12 HG22 ' A' ' 9' ' ' ILE . 77.5 t -111.18 132.32 21.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -60.51 55.05 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.082 3.07 . . . . 0.0 120.082 162.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.5 HG22 HG12 ' A' ' 7' ' ' VAL . 6.5 tp -143.08 -51.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.564 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -97.94 126.69 43.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.221 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -146.77 152.74 39.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -136.1 -176.94 4.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -85.32 119.23 25.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.8 m -67.65 104.61 0.69 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 108.259 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -58.26 -174.88 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.193 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -167.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -54.92 125.95 22.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.89 -40.05 2.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.088 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -116.41 99.11 6.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.41 ' O ' HD13 ' A' ' 1' ' ' LEU . 50.8 t30 -118.44 23.97 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 50.6 mt -129.22 140.74 51.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.462 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.7 m -112.5 129.93 56.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.351 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.536 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.5 p90 -128.07 166.64 18.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -145.96 120.88 9.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.585 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 36.3 mtm -89.38 127.48 35.82 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.632 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 55.3 m-85 -113.2 112.8 24.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.698 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.1 tmm? -85.02 156.82 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.23 -80.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.154 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.9 m -140.01 133.78 30.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -76.57 -25.81 54.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.5 mt -42.28 -28.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 29' ' ' ASP . 80.5 p -105.72 173.38 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.93 149.19 18.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.632 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 60.2 Cg_endo -65.54 -172.04 0.23 Allowed 'Trans proline' 0 CA--C 1.567 2.158 0 N-CA-C 120.112 3.082 . . . . 0.0 120.112 -177.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.698 HG11 ' HB2' ' A' ' 26' ' ' MET . 15.6 m -123.06 -41.8 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.28 155.87 43.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.495 ' CZ ' ' O ' ' A' ' 6' ' ' LEU . 4.0 ptp180 -167.08 134.28 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.365 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.43 -159.15 9.86 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.449 1.093 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 4.0 m -105.12 165.66 10.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 tt -165.57 175.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -111.98 -35.71 5.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.42 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 56.5 t -135.62 128.71 47.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.68 119.31 56.29 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 108.317 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 17.0 Cg_exo -64.5 161.77 33.7 Favored 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.06 3.061 . . . . 0.0 120.06 164.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.19 125.54 29.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.454 ' ND2' ' HA ' ' A' ' 50' ' ' LYS . 45.0 t30 -75.86 165.2 25.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.6 p -114.35 -176.44 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -92.08 -2.2 56.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -108.93 -22.28 12.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 50' ' ' LYS . 19.5 t -127.46 167.0 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.469 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -136.92 108.32 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.8 m-85 -84.6 135.76 34.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 11.1 t -129.39 97.14 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.2 m -93.94 151.79 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.76 170.98 20.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 108.356 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -131.07 26.04 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 73.1 p -111.85 138.38 48.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 110.388 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 1' ' ' LEU . 13.5 m-20 -61.32 120.14 9.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 72.94 40.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.322 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 2.9 p -75.72 -35.95 60.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 108.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 42.1 p-10 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.523 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -110.69 114.18 27.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.407 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 5.5 m -109.59 146.96 33.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 108.297 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -106.39 163.82 12.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.418 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -87.46 -159.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.362 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tt -50.0 -33.03 16.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.1 t -113.69 127.53 26.72 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -60.15 41.07 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.137 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 164.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.866 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -115.89 -33.02 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.418 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -128.38 132.76 48.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -152.57 155.61 37.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.69 -173.74 3.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -86.24 124.03 32.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.407 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.407 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 91.8 m -68.5 104.1 0.64 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 108.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -58.88 -175.08 0.08 OUTLIER 'Trans proline' 0 CA--C 1.569 2.238 0 N-CA-C 120.085 3.071 . . . . 0.0 120.085 -164.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -55.1 125.34 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.72 -38.76 3.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -114.88 106.24 13.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.523 ' O ' HD13 ' A' ' 1' ' ' LEU . 56.3 t30 -120.42 10.9 11.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 87.3 mt -118.45 141.52 48.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.441 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -115.22 126.82 55.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.603 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 7.8 p90 -122.74 163.47 20.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -146.05 113.76 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.2 mpp? -89.99 129.25 36.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.672 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 46.2 m-85 -112.44 121.81 45.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.682 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.5 tmm? -84.38 154.8 22.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 62.05 -69.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.6 m -150.04 150.44 31.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.056 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.3 OUTLIER -94.65 -22.18 18.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.9 mt -45.68 -26.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 29' ' ' ASP . 71.8 p -101.62 -157.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.19 148.14 46.74 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.672 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 58.2 Cg_endo -64.66 -173.52 0.24 Allowed 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 -175.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' A' ' 26' ' ' MET . 4.8 m -122.01 -43.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -149.07 153.11 37.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.437 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -165.89 134.79 3.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.51 -158.65 8.79 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 6.6 m -102.4 163.49 12.2 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 tt -163.49 174.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.23 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -110.62 -35.9 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.431 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 55.4 t -137.11 127.55 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.97 117.72 38.76 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 0.0 108.343 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 22.0 Cg_exo -62.37 171.87 4.92 Favored 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.119 3.084 . . . . 0.0 120.119 166.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -75.35 126.64 31.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 46' ' ' SER . 38.9 t30 -75.39 165.04 25.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.546 ' C ' HD13 ' A' ' 47' ' ' LEU . 86.2 p -123.4 178.88 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.816 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -90.65 -16.42 28.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.369 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -91.42 -32.1 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.463 HG22 ' HG2' ' A' ' 26' ' ' MET . 21.0 t -123.77 165.62 20.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.609 1.193 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 49' ' ' VAL . 9.5 tptt -127.2 113.61 16.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.9 m-85 -89.29 103.12 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.17 101.5 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 84.2 m -94.08 152.98 18.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 108.263 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.47 167.92 28.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.473 ' C ' HD21 ' A' ' 1' ' ' LEU . 18.4 p-10 -130.56 24.16 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 11.2 p -106.55 136.5 46.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 15.8 m-20 -62.21 118.86 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER 77.24 35.26 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 56' ' ' THR . 4.7 p -75.83 -36.77 59.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.168 . . . . 0.0 108.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 55.0 p30 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -107.24 111.86 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 m -110.81 147.13 35.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -99.84 163.31 12.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -87.81 -162.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tt -49.42 -25.92 2.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.513 HG12 HG22 ' A' ' 9' ' ' ILE . 78.1 t -113.77 126.58 27.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.67 48.62 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.155 0 N-CA-C 120.109 3.08 . . . . 0.0 120.109 163.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.513 HG22 HG12 ' A' ' 7' ' ' VAL . 6.8 tp -131.65 -46.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.452 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -108.85 129.36 55.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -149.35 152.12 35.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -134.73 -173.73 3.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.78 124.48 31.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.8 m -68.38 107.32 1.86 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 108.274 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -59.41 -174.78 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.223 0 N-CA-C 120.074 3.067 . . . . 0.0 120.074 -165.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.5 128.91 34.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.83 -38.67 3.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.15 106.72 15.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.418 ' O ' HD13 ' A' ' 1' ' ' LEU . 12.5 t-20 -123.15 15.14 9.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 91.4 mt -122.59 142.71 50.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.446 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -112.05 136.33 51.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 108.29 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.603 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 2.6 p90 -135.45 160.24 39.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 22.5 pttt -145.89 113.33 6.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.9 mpp? -88.82 134.66 33.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.614 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 32.1 m-85 -118.35 120.14 36.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.08 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.727 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.1 tmm? -87.2 154.47 20.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.2 mtt 61.39 -72.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.7 m -145.63 144.91 30.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -91.04 -21.71 21.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.087 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.7 mt -43.47 -27.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.422 ' N ' ' C ' ' A' ' 29' ' ' ASP . 43.3 p -108.17 -178.68 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 110.463 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.52 143.25 98.56 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.234 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.614 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.3 Cg_endo -65.26 -166.3 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.146 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -171.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.727 HG11 ' HB2' ' A' ' 26' ' ' MET . 3.1 m -117.68 -45.34 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.083 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -147.62 153.3 39.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.431 ' HD3' ' ND2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -166.22 131.88 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.8 -153.9 6.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 6.7 m -106.12 165.77 10.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 tt -165.4 174.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -109.95 -34.68 6.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.418 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 65.9 t -141.38 128.2 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.92 119.95 62.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 108.346 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 20.7 Cg_exo -62.73 174.56 2.84 Favored 'Trans proline' 0 CA--C 1.568 2.205 0 N-CA-C 120.13 3.088 . . . . 0.0 120.13 164.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.55 128.52 35.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 46' ' ' SER . 40.9 t30 -75.68 165.66 24.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 79.4 p -123.25 178.13 5.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -23.21 20.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -86.74 -26.82 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.609 HG22 ' HG2' ' A' ' 26' ' ' MET . 25.1 t -126.53 163.43 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 49' ' ' VAL . 2.7 tttt -127.02 114.97 18.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.562 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.5 m-85 -90.71 110.02 21.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.405 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 2.5 t -109.88 96.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 87.1 m -94.66 152.81 18.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 108.305 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -155.34 170.56 21.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 108.334 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 -133.02 30.18 4.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.491 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.3 p -114.53 140.44 48.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' OD1' ' HA ' ' A' ' 1' ' ' LEU . 21.3 m-20 -62.6 122.64 16.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 69.45 37.89 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.223 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 56' ' ' THR . 5.0 p -75.63 -37.31 59.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.303 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.457 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 39.4 p-10 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.919 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -105.48 105.58 15.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 m -100.93 146.99 26.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 108.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.6 OUTLIER -100.14 172.2 7.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.499 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 3.9 mttp -92.17 -158.26 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 tp -49.74 -38.56 34.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.9 t -106.27 133.57 20.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.68 58.93 0.12 Allowed 'Trans proline' 0 CA--C 1.569 2.227 0 N-CA-C 120.086 3.072 . . . . 0.0 120.086 162.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.812 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -133.84 -44.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.62 141.67 47.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -154.17 153.93 32.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.68 178.83 6.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.76 119.37 25.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.9 m -70.4 105.81 1.39 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.185 . . . . 0.0 108.324 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -59.89 -174.85 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.157 0 N-CA-C 120.146 3.095 . . . . 0.0 120.146 -168.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -54.94 128.31 32.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 110.23 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.06 -42.65 1.84 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -116.71 98.21 6.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.919 ' O ' HD13 ' A' ' 1' ' ' LEU . 26.1 t30 -115.58 18.32 15.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.4 mt -122.67 144.68 48.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.451 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -116.07 139.77 49.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 108.286 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.532 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.1 p90 -140.9 163.05 33.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -145.51 124.58 12.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.22 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.54 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -92.42 130.13 38.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.69 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.0 m-85 -115.4 118.23 32.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.729 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -86.5 156.54 20.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.3 mtp 57.3 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.6 m -138.17 143.19 40.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.077 . . . . 0.0 110.012 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -89.45 -23.33 22.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.3 mt -43.16 -27.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.243 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.416 ' N ' ' C ' ' A' ' 29' ' ' ASP . 69.0 p -107.1 177.32 4.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.557 1.161 . . . . 0.0 110.436 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.8 149.14 23.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.69 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.0 Cg_endo -65.16 -172.36 0.22 Allowed 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.729 HG11 ' HB2' ' A' ' 26' ' ' MET . 3.6 m -119.56 -44.47 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -149.43 162.06 40.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.507 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.19 163.68 17.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.351 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.405 ' HA2' ' NH1' ' A' ' 36' ' ' ARG . . . 175.98 -171.92 44.94 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.415 1.072 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -94.8 165.69 12.35 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 tt -165.47 174.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -112.52 -31.67 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.425 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 77.8 t -139.41 127.8 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 t -64.66 119.09 54.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 21.3 Cg_exo -62.37 169.07 8.57 Favored 'Trans proline' 0 CA--C 1.567 2.15 0 N-CA-C 120.153 3.097 . . . . 0.0 120.153 165.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -74.28 125.04 27.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -75.57 165.73 24.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.219 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 p -122.99 -167.55 1.61 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 109.911 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.5 -36.76 9.08 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -78.93 -7.87 58.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 t -142.44 163.4 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.241 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -133.01 123.25 25.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.54 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.7 m-85 -99.01 121.81 41.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 t -119.49 98.62 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.4 m -94.29 150.07 20.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 108.329 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.96 171.21 20.08 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.124 . . . . 0.0 108.336 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.745 ' C ' HD21 ' A' ' 1' ' ' LEU . 2.5 p30 -133.92 24.58 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.493 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.2 p -107.01 138.63 42.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.364 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -62.71 120.68 11.7 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mtm-85 74.0 36.33 0.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 56' ' ' THR . 4.4 p -76.36 -32.73 58.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 108.341 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.417 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 37.6 p-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.705 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 14.0 mtmm -106.95 120.61 42.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.6 m -112.37 152.98 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.421 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 3.0 m-20 -101.96 168.03 9.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.529 ' HD2' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -93.27 -160.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.514 HD21 ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -51.35 -35.88 40.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.699 HG12 HG22 ' A' ' 9' ' ' ILE . 68.2 t -104.08 131.08 22.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -59.94 52.77 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.199 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 163.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.699 HG22 HG12 ' A' ' 7' ' ' VAL . 4.0 tp -137.71 -46.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.529 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . . . -103.72 130.7 51.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.421 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 48.2 p90 -155.49 144.52 20.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -134.62 -171.44 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.66 128.88 34.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.389 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.3 m -64.99 117.24 37.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -59.26 -174.92 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.134 3.09 . . . . 0.0 120.134 -169.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -55.15 112.02 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.256 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.44 -38.44 3.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.0 mttt -105.19 110.75 23.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -118.36 -25.63 6.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.436 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 6.2 mt -94.23 151.86 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.458 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -115.36 149.21 38.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 108.259 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.584 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 2.9 p90 -145.33 160.19 41.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HB3' ' CB ' ' A' ' 36' ' ' ARG . 3.4 pttt -145.94 116.21 7.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.064 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -92.28 131.51 37.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.667 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 36.2 m-85 -112.66 123.6 50.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.67 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.2 tmm? -83.54 156.01 23.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 mmt 55.08 -82.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.3 m -127.59 148.9 50.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -100.61 -19.61 16.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.244 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.6 mt -45.27 -26.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 29' ' ' ASP . 60.4 p -106.31 -168.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.378 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.94 150.16 98.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.667 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.9 Cg_endo -65.95 -171.68 0.23 Allowed 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.151 3.097 . . . . 0.0 120.151 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.67 HG11 ' HB2' ' A' ' 26' ' ' MET . 6.4 m -121.42 -43.58 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.87 155.8 41.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 6' ' ' LEU . 4.3 ptp180 -165.4 136.31 3.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.17 -159.69 8.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.432 ' CB ' ' HB3' ' A' ' 18' ' ' LYS . 22.0 m -106.05 163.02 13.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.5 tt -163.35 172.74 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -112.11 -28.32 8.03 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.429 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 59.8 t -142.95 127.06 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.4 t -64.07 118.47 46.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 108.312 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 16.8 Cg_exo -64.7 173.15 5.92 Favored 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.143 3.094 . . . . 0.0 120.143 165.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -75.22 126.93 32.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 46' ' ' SER . 34.3 t30 -75.1 165.11 25.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 59.5 p -121.55 -179.23 4.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.79 -20.73 20.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.074 . . . . 0.0 109.313 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -86.4 -31.14 21.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 50' ' ' LYS . 18.7 t -126.6 165.01 25.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' N ' HG12 ' A' ' 49' ' ' VAL . 3.2 tttp -126.57 114.9 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.39 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.574 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.2 m-85 -87.35 113.5 23.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.455 HG21 ' CE1' ' A' ' 25' ' ' PHE . 4.2 t -113.74 99.15 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.9 m -94.42 152.07 18.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 108.318 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.68 172.33 18.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.26 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.705 ' C ' HD21 ' A' ' 1' ' ' LEU . 23.8 p-10 -135.86 25.71 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.7 p -108.07 137.39 46.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.496 1.122 . . . . 0.0 110.381 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -61.9 118.16 6.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 75.86 37.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.24 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.7 p -75.76 -34.29 60.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.284 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.415 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 34.7 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -104.42 111.97 24.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.0 m -107.76 150.46 26.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 108.281 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -101.15 167.16 10.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.645 ' HD2' ' HB3' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -91.52 -154.42 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.1 tp -49.97 -41.9 47.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.2 t -106.82 139.34 20.28 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -60.75 49.7 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.199 0 N-CA-C 120.13 3.089 . . . . 0.0 120.13 162.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 10' ' ' ALA . 7.3 tp -129.1 -49.21 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.645 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . . . -104.15 130.15 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.639 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 43.0 p90 -154.17 146.6 23.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -133.23 -175.46 3.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -86.15 123.31 31.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.453 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.1 m -69.56 109.68 5.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 108.347 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -59.04 -174.84 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.149 0 N-CA-C 120.03 3.05 . . . . 0.0 120.03 -168.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -54.85 129.17 36.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.223 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.43 -39.21 2.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.442 1.089 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.51 107.74 15.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.545 ' O ' HD13 ' A' ' 1' ' ' LEU . 41.5 t30 -127.29 14.14 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 81.1 mt -119.43 139.81 51.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.476 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -109.76 140.18 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 108.361 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.611 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.1 p90 -139.06 159.88 41.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -145.44 114.19 6.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.611 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -91.63 133.77 35.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.682 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 51.3 m-85 -115.88 123.99 49.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.666 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -84.34 154.05 23.12 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 111.08 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 63.08 -67.6 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.7 m -152.06 151.94 31.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.963 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -89.98 -25.63 20.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.0 mt -45.27 -26.04 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.403 ' N ' ' C ' ' A' ' 29' ' ' ASP . 60.4 p -103.33 178.32 4.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.108 . . . . 0.0 110.388 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.47 148.16 98.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.682 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 57.8 Cg_endo -64.46 -172.97 0.2 Allowed 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.165 3.102 . . . . 0.0 120.165 -174.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.666 HG11 ' HB2' ' A' ' 26' ' ' MET . 7.9 m -124.66 -44.55 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -144.34 151.59 39.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.68 132.51 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.406 1.066 . . . . 0.0 110.351 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.17 -163.9 13.38 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 4.2 m -96.06 166.14 11.91 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 tt -165.06 175.39 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -111.18 -35.39 5.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.416 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 59.2 t -140.08 128.43 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.96 119.52 55.79 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.463 1.102 . . . . 0.0 108.224 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 22.1 Cg_exo -61.83 169.76 6.81 Favored 'Trans proline' 0 CA--C 1.568 2.201 0 N-CA-C 120.139 3.092 . . . . 0.0 120.139 164.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -75.15 126.07 30.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 49' ' ' VAL . 44.9 t30 -75.43 165.86 24.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' VAL . 59.8 p -129.32 178.76 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.508 ' H ' HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -88.06 -19.75 26.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.37 -38.85 21.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.497 HG22 ' HG2' ' A' ' 26' ' ' MET . 23.8 t -122.96 162.1 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -123.73 116.5 23.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.58 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.6 m-85 -90.85 116.33 28.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.2 t -114.9 98.34 6.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 90.1 m -94.81 150.33 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.269 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.55 168.72 25.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 108.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -131.25 29.79 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.5 p -112.11 135.98 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.04 118.25 7.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.639 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 11.5 mtp180 76.39 36.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 56' ' ' THR . 2.6 p -76.03 -32.67 59.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 40.1 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.626 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 9.2 mttt -104.46 117.72 34.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.6 m -113.63 152.04 30.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -102.83 168.47 9.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 -160.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.513 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 5.3 tp -55.53 -23.77 28.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.233 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.4 t -114.96 119.23 39.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -57.51 47.56 0.05 OUTLIER 'Trans proline' 0 CA--C 1.569 2.246 0 N-CA-C 120.086 3.072 . . . . 0.0 120.086 166.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.08 -44.68 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.58 134.85 52.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -155.21 149.21 25.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 14.9 ptpt -133.75 -173.84 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.61 126.43 33.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.373 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.0 m -66.42 108.16 2.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 108.253 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -61.92 -174.75 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.168 0 N-CA-C 120.096 3.076 . . . . 0.0 120.096 -172.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -55.28 116.17 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.247 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.99 -35.93 3.62 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -128.08 111.86 13.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -114.24 -22.72 9.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 8.7 mt -95.09 155.65 16.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.452 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 m -116.99 147.41 42.33 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.492 1.12 . . . . 0.0 108.359 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.57 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 5.9 p90 -143.76 159.46 42.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.597 1.185 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.477 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -145.84 113.99 6.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.362 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.57 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -89.42 132.58 34.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.628 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 47.5 m-85 -115.22 119.34 36.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.711 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.2 tmm? -84.51 154.07 22.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 111.014 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 61.0 -72.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.4 m -141.63 154.61 45.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.26 -22.47 14.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.1 mt -45.8 -25.86 0.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.8 p -106.02 -175.66 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 110.418 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.0 146.24 98.11 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.5 Cg_endo -65.25 -167.63 0.1 Allowed 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.061 3.062 . . . . 0.0 120.061 -173.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.711 HG11 ' HB2' ' A' ' 26' ' ' MET . 3.3 m -120.83 -44.22 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -147.12 154.08 40.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.513 ' CZ ' ' O ' ' A' ' 6' ' ' LEU . 3.6 ptp180 -165.79 131.14 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.46 -155.34 6.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.1 m -108.27 159.71 16.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 tt -160.48 177.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -114.25 -35.71 4.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 55.0 t -137.06 128.12 41.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -64.14 119.12 52.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 108.342 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 20.8 Cg_exo -62.75 172.29 4.85 Favored 'Trans proline' 0 CA--C 1.567 2.135 0 N-CA-C 120.143 3.093 . . . . 0.0 120.143 164.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -75.21 126.3 30.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 46' ' ' SER . 37.3 t30 -75.25 165.25 25.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.424 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 66.5 p -121.3 178.07 4.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.973 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.34 -16.01 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -94.3 -24.44 17.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.499 HG22 ' HG2' ' A' ' 26' ' ' MET . 23.5 t -130.06 165.16 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' N ' HG12 ' A' ' 49' ' ' VAL . 6.2 tptt -127.4 116.17 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.502 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.3 m-85 -91.77 100.78 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -102.19 100.06 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.52 152.65 18.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.152 . . . . 0.0 108.233 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.49 169.58 23.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 108.303 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.626 ' C ' HD21 ' A' ' 1' ' ' LEU . 3.5 p30 -132.94 23.18 4.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.9 p -104.95 137.46 42.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.401 1.063 . . . . 0.0 110.403 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -62.22 119.26 8.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 74.66 37.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.9 p -76.05 -36.06 59.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 108.292 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.477 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 36.1 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.17 114.34 28.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -109.4 151.2 26.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.333 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -101.26 162.34 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -86.11 -158.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -50.05 -39.47 42.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.693 HG12 HG22 ' A' ' 9' ' ' ILE . 55.3 t -102.99 133.5 20.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -60.58 56.03 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.199 0 N-CA-C 120.113 3.082 . . . . 0.0 120.113 162.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.693 HG22 HG12 ' A' ' 7' ' ' VAL . 7.6 tp -138.07 -56.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.524 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -97.3 129.65 44.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.652 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 51.5 p90 -151.71 149.21 28.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -134.71 -175.85 4.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.01 128.85 34.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.415 1.072 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.0 m -74.24 110.42 9.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 108.264 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -60.33 -175.08 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.209 0 N-CA-C 120.154 3.098 . . . . 0.0 120.154 -170.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.07 124.4 16.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.355 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.9 -43.6 1.67 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.87 109.25 18.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.823 ' O ' HD13 ' A' ' 1' ' ' LEU . 64.2 t30 -127.05 19.11 7.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 10.9 mt -126.33 136.01 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -106.26 131.0 54.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 4.8 p90 -129.97 164.65 23.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -146.12 112.9 6.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.414 1.071 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.547 ' O ' HG22 ' A' ' 34' ' ' VAL . 19.2 mtp -84.73 128.72 34.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.641 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 72.1 m-85 -112.34 116.98 31.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.799 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -87.99 158.99 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.384 1.053 . . . . 0.0 111.003 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 54.95 -83.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.6 m -137.22 127.03 25.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.98 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -71.7 -22.93 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.9 mt -42.74 -27.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 29' ' ' ASP . 68.0 p -106.65 176.37 5.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.416 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.08 148.43 29.45 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.641 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 58.4 Cg_endo -64.41 -172.11 0.18 Allowed 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.166 3.102 . . . . 0.0 120.166 -177.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.799 HG11 ' HB2' ' A' ' 26' ' ' MET . 6.5 m -121.81 -41.97 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -145.05 152.33 39.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.95 129.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 110.267 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.81 -156.59 8.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.561 1.163 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 5.2 m -101.99 163.56 12.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 tt -165.31 177.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -113.8 -36.29 4.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.405 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 12.6 p -132.92 132.07 59.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -64.75 119.85 61.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 108.311 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.561 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 31.2 Cg_exo -57.9 163.29 9.66 Favored 'Trans proline' 0 CA--C 1.567 2.129 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 165.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -75.46 141.16 43.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.452 ' OD1' ' HB2' ' A' ' 51' ' ' TYR . 4.1 m-20 -73.82 -173.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.428 ' OG ' HG23 ' A' ' 49' ' ' VAL . 78.1 p -150.25 -178.34 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.539 HD23 ' C ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -97.68 -2.78 40.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.483 ' C ' ' CG2' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -128.49 7.22 5.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.383 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.483 ' CG2' ' C ' ' A' ' 48' ' ' LEU . 1.4 t -153.31 163.78 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.07 118.35 8.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 43' ' ' PRO . 11.8 m-85 -92.82 128.62 38.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 6.4 t -121.63 96.12 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 45.0 m -93.78 153.04 18.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.294 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.98 173.72 16.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.533 ' O ' HD21 ' A' ' 1' ' ' LEU . 25.5 p-10 -131.2 22.28 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 41.1 p -107.75 138.08 44.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -61.21 120.61 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.652 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 23.2 mtp180 71.73 40.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.348 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.2 p -75.6 -35.64 60.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.277 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 44.7 p30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.642 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -107.88 110.08 21.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.1 m -106.2 149.18 27.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.076 . . . . 0.0 108.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -104.67 166.75 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -160.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tp -49.67 -33.07 14.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.601 1.188 . . . . 0.0 109.275 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 63.3 t -112.82 123.35 33.95 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -58.71 42.13 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.078 3.068 . . . . 0.0 120.078 166.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.749 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -116.94 -33.32 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.47 130.45 49.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 5.5 p90 -148.81 157.01 43.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.964 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.02 -177.61 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.86 125.29 32.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.558 1.161 . . . . 0.0 110.449 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.6 m -75.15 106.45 2.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 108.346 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -61.32 -175.03 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.177 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 -168.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -55.49 120.23 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.46 -41.56 1.96 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -124.65 104.53 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 0.0 109.212 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.521 ' O ' HD13 ' A' ' 1' ' ' LEU . 16.4 t30 -118.63 21.79 12.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 91.9 mt -127.27 135.85 51.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.464 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -107.23 126.21 52.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.3 p90 -124.34 160.36 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HB3' ' CB ' ' A' ' 36' ' ' ARG . 7.5 pttt -145.18 111.79 5.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.592 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.3 mpp? -84.69 133.4 34.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 7.0 m-85 -117.96 116.81 27.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.719 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -86.77 155.47 20.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.95 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.47 ' C ' ' O ' ' A' ' 26' ' ' MET . 0.2 OUTLIER 30.45 87.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.8 m 65.65 139.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -103.03 -12.39 17.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.8 mt -45.08 -26.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' ASP . 36.1 p -102.07 177.43 4.89 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.579 1.175 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.72 140.07 96.16 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.589 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 38.4 Cg_endo -58.32 -170.03 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 120.106 3.079 . . . . 0.0 120.106 -171.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.719 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.4 m -114.44 -46.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.29 156.62 43.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.408 ' CB ' ' HB3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -166.09 128.93 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.09 -154.91 6.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 3.9 m -106.29 164.12 12.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.5 tt -165.49 175.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.443 ' OD2' HG23 ' A' ' 41' ' ' VAL . 9.1 p-10 -104.63 -36.72 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.357 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.443 HG23 ' OD2' ' A' ' 40' ' ' ASP . 94.0 t -141.36 141.24 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.49 119.1 53.89 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 108.25 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 24.1 Cg_exo -60.7 -170.62 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.126 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 166.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -176.46 3.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -163.87 140.56 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.1 p -114.44 -172.66 2.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.22 -11.05 53.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.75 -36.2 17.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 t -120.37 167.26 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -137.29 107.2 6.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.588 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 6.3 m-85 -85.2 93.57 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.47 100.95 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 98.7 m -94.48 153.15 18.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 108.272 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -154.91 170.85 20.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 108.224 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.642 ' C ' HD21 ' A' ' 1' ' ' LEU . 29.6 p-10 -134.92 22.77 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 15.3 p -105.75 137.41 43.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 10.4 m-20 -62.32 118.21 7.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.41 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 3.3 mtt180 77.48 35.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.5 p -75.91 -36.97 59.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 48.2 p30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -109.47 116.82 32.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -112.07 142.93 43.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 108.247 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -96.1 165.01 12.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.593 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -88.11 -163.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 34' ' ' VAL . 4.5 tp -49.29 -27.8 4.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.2 t -110.13 131.48 21.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -61.47 57.21 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.136 0 N-CA-C 120.071 3.066 . . . . 0.0 120.071 162.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -145.35 -50.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.365 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.593 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -99.59 126.98 45.68 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -148.79 161.5 41.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -145.23 -177.1 5.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.431 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -84.7 123.73 30.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.2 m -70.37 104.12 0.77 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 108.321 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -60.07 -174.85 0.1 OUTLIER 'Trans proline' 0 CA--C 1.568 2.186 0 N-CA-C 120.231 3.127 . . . . 0.0 120.231 -165.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -54.88 125.91 22.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.48 -43.9 1.58 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -111.95 101.66 9.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.372 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.457 ' O ' HD13 ' A' ' 1' ' ' LEU . 11.6 t-20 -118.06 23.56 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.425 1.078 . . . . 0.0 109.356 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 40' ' ' ASP . 53.5 mt -129.88 139.34 51.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.1 m -109.57 131.03 55.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 108.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.527 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.4 p90 -130.42 161.73 30.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HG3' ' HB ' ' A' ' 52' ' ' VAL . 23.5 pttt -145.69 110.77 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.597 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -84.46 131.29 34.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.886 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 34.6 m-85 -115.4 119.27 35.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.793 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -85.44 155.94 21.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.9 mtp 59.06 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.8 m -140.67 145.31 36.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -90.79 -23.85 20.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.2 mt -42.71 -27.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.225 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 29' ' ' ASP . 53.8 p -108.45 177.85 4.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.36 144.73 77.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.559 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 61.3 Cg_endo -66.37 -165.98 0.1 Allowed 'Trans proline' 0 CA--C 1.567 2.163 0 N-CA-C 120.166 3.102 . . . . 0.0 120.166 -175.291 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.793 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.4 m -118.42 -46.92 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.53 156.04 42.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.434 ' NE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.03 135.82 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.7 -156.74 8.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.76 164.19 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 tt -165.43 175.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' O ' HD12 ' A' ' 20' ' ' LEU . 7.3 t70 -108.42 -32.58 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.426 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 2.5 p -141.66 141.63 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.8 t -64.56 116.43 28.62 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.279 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.575 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 39.6 Cg_exo -57.12 -165.52 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.14 3.092 . . . . 0.0 120.14 170.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -176.43 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.09 129.8 2.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 49' ' ' VAL . 36.6 p -121.04 -171.33 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.938 HD22 ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -91.06 -24.75 19.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.555 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -78.01 -26.42 48.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -128.88 167.76 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -140.34 118.61 12.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.597 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 9.3 m-85 -97.93 96.47 8.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.41 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 2.2 t -91.2 99.29 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 75.1 m -94.9 150.39 20.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 108.312 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.93 171.02 20.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 108.268 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -135.02 27.82 3.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.508 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 17.4 p -112.8 141.67 46.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -63.11 123.6 19.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 70.54 36.49 1.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.403 1.064 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 56' ' ' THR . 5.7 p -76.28 -38.7 55.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 108.279 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.421 ' ND2' ' HD3' ' A' ' 36' ' ' ARG . 40.9 p-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.45 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -107.72 114.88 29.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 m -112.14 151.2 29.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 108.272 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -99.6 163.98 12.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.478 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -90.03 -155.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 6' ' ' LEU . 2.5 tm? -50.84 -42.16 58.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.645 HG12 HG22 ' A' ' 9' ' ' ILE . 53.3 t -102.98 133.56 20.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.6 Cg_exo -60.9 56.88 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.125 0 N-CA-C 120.166 3.102 . . . . 0.0 120.166 162.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.645 HG22 HG12 ' A' ' 7' ' ' VAL . 6.5 tp -137.87 -55.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.521 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -100.54 129.22 46.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -147.28 153.48 39.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.72 -178.61 5.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -85.55 126.05 33.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.0 m -73.82 110.88 10.16 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 108.323 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -59.18 -174.79 0.08 OUTLIER 'Trans proline' 0 CA--C 1.569 2.239 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 -168.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -54.74 127.24 27.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.65 -39.4 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -109.13 88.48 2.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.449 ' O ' HD13 ' A' ' 1' ' ' LEU . 23.9 t30 -112.64 20.52 16.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.0 mt -126.31 144.48 50.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.483 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.2 m -115.39 140.2 49.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.0 p90 -140.88 164.41 30.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.146 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -146.04 119.29 8.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.593 ' O ' HG22 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -91.75 125.39 36.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.688 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.6 m-85 -110.37 118.3 35.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.606 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -88.15 156.23 19.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.478 ' C ' ' O ' ' A' ' 26' ' ' MET . 0.0 OUTLIER 31.23 84.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.1 m 65.08 139.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.47 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -103.02 -16.32 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.2 mt -42.86 -27.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.446 ' N ' ' C ' ' A' ' 29' ' ' ASP . 67.0 p -94.05 -155.89 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.425 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -87.26 152.12 52.25 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.688 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 57.7 Cg_endo -63.73 177.68 1.68 Allowed 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 -178.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.606 HG11 ' HB2' ' A' ' 26' ' ' MET . 12.2 m -117.64 -41.21 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HE2' ' HE1' ' A' ' 24' ' ' MET . 4.2 ptmt -151.29 154.41 36.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.455 ' NH2' ' C ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -165.55 134.52 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.53 -158.47 8.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.79 165.28 11.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 tt -163.68 176.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.233 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -112.01 -36.79 5.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.421 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 53.0 t -137.09 126.95 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.75 119.42 57.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 108.291 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 20.6 Cg_exo -63.03 172.67 4.67 Favored 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 164.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.42 127.16 32.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 46' ' ' SER . 45.3 t30 -75.28 165.86 24.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.404 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 7.6 p -124.33 -172.44 2.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 tp -97.8 -35.34 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -79.67 -6.9 58.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -145.38 165.97 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -132.43 125.93 31.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.431 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.5 m-85 -102.25 109.05 20.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 t -109.04 99.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 80.0 m -94.4 153.16 18.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.254 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.38 171.39 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.45 ' C ' HD21 ' A' ' 1' ' ' LEU . 11.5 p-10 -134.49 24.6 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.347 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 49.2 p -109.47 137.28 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.396 1.06 . . . . 0.0 110.455 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD1' ' HA ' ' A' ' 1' ' ' LEU . 13.7 m-20 -61.3 119.57 8.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 74.62 38.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 3.2 p -75.39 -41.43 56.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 108.281 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.471 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 40.2 p-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.771 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -108.17 116.93 32.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 m -113.53 148.25 36.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 108.24 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -99.26 165.84 11.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.444 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -93.45 -156.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.452 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 7.6 tt -50.18 -35.46 26.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 79.4 t -107.84 129.35 24.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -60.24 53.21 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 163.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 10' ' ' ALA . 6.0 tp -135.64 -49.5 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.444 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -104.28 132.61 50.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -151.06 154.6 37.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -133.48 -174.69 3.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.345 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.26 123.94 33.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.7 m -73.38 106.13 2.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 108.341 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -59.76 -176.2 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.089 3.073 . . . . 0.0 120.089 -168.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.15 123.66 14.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.27 -38.25 3.39 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -118.44 96.26 5.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 0.737 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.771 ' O ' HD13 ' A' ' 1' ' ' LEU . 27.3 t30 -113.51 22.64 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 96.2 mt -130.02 142.34 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 5.1 m -114.13 125.48 54.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 108.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.584 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 4.1 p90 -123.5 162.18 23.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.483 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 17.9 pttt -145.98 110.36 5.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -84.12 131.6 34.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.067 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 26.1 m-85 -115.72 121.44 42.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.798 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -87.0 152.76 22.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' A' ' 26' ' ' MET . 1.4 mmt 62.54 -67.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.0 t -146.17 156.52 43.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 109.961 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.448 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -101.64 -35.05 9.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.5 mt -40.73 -29.33 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.448 ' N ' ' C ' ' A' ' 29' ' ' ASP . 32.1 p -89.38 -152.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -103.67 139.33 20.0 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.516 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 58.1 Cg_endo -64.39 -167.04 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.106 3.079 . . . . 0.0 120.106 -164.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.798 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.3 m -118.64 -46.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.551 ' HE2' ' HE1' ' A' ' 24' ' ' MET . 15.1 ptmt -147.73 155.49 41.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -165.89 131.55 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.217 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.03 -153.85 6.41 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 3.9 m -107.33 164.24 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 tt -165.66 176.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -105.04 -33.25 8.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.427 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 2.6 p -143.99 144.86 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.371 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.42 116.43 28.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 0.0 108.294 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 31.5 Cg_exo -58.38 -163.7 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.198 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 169.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -67.93 -175.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.86 129.05 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.232 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.8 p -114.5 -177.02 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.943 HD22 ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -88.89 -19.25 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.538 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -83.43 -32.26 26.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 2.4 t -122.28 165.58 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.75 119.39 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.577 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 7.4 m-85 -96.9 89.17 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.407 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 1.6 t -84.83 99.63 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.1 m -94.39 153.07 18.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.383 1.052 . . . . 0.0 108.347 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.82 169.26 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -132.99 28.11 4.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.257 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 68.4 p -113.72 138.71 49.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -61.85 119.04 8.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 76.42 38.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.282 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.5 p -76.02 -42.61 47.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 108.348 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.483 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 41.5 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.345 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.879 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 3.4 mttp -107.0 113.3 26.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.6 m -107.94 149.13 28.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 108.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.74 165.58 11.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.465 ' HE3' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -86.63 -156.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.223 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tt -51.08 -38.88 54.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.707 HG12 HG22 ' A' ' 9' ' ' ILE . 39.0 t -103.35 132.8 20.74 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.8 Cg_exo -60.88 59.66 0.09 OUTLIER 'Trans proline' 0 CA--C 1.566 2.111 0 N-CA-C 120.09 3.073 . . . . 0.0 120.09 162.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.707 HG22 HG12 ' A' ' 7' ' ' VAL . 8.1 tp -137.66 -56.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.523 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -101.07 136.76 40.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -153.86 150.77 28.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.065 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 3.1 mmmt -131.01 -177.99 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.59 125.15 32.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.434 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -72.52 108.37 4.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.298 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -59.81 -174.81 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.198 0 N-CA-C 120.097 3.076 . . . . 0.0 120.097 -168.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -54.8 126.04 22.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.48 -38.38 3.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -117.87 104.35 10.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.749 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.879 ' O ' HD13 ' A' ' 1' ' ' LEU . 34.8 t30 -123.13 15.84 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 91.4 mt -121.91 143.8 49.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.46 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.8 m -112.72 142.37 45.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 108.313 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.6 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.1 p90 -142.37 159.63 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 7.3 pttt -145.89 113.89 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.6 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -89.96 131.51 35.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.67 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 76.0 m-85 -113.12 123.52 50.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.797 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -87.1 154.32 20.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.604 ' HG3' ' HE2' ' A' ' 26' ' ' MET . 0.2 OUTLIER 62.91 -66.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.552 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.2 m -152.78 153.7 33.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.22 -23.71 18.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.2 mt -47.13 -25.35 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.3 p -105.11 -178.6 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.458 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.65 149.0 97.85 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.67 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.6 Cg_endo -65.71 -177.16 0.67 Allowed 'Trans proline' 0 CA--C 1.567 2.126 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 -177.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.797 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.9 m -117.15 -45.97 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -145.27 153.17 41.01 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.14 132.75 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.76 -161.2 10.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 13.6 m -98.46 164.72 12.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 tt -165.59 177.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -114.14 -34.76 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.435 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 9.5 p -136.77 129.94 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.97 115.72 21.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 108.336 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 38.0 Cg_exo -57.7 179.09 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 170.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -75.41 128.86 36.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.491 HD22 ' N ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -75.3 158.51 32.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.491 ' N ' HD22 ' A' ' 45' ' ' ASN . 96.5 p -124.01 169.68 11.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.909 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.919 HD22 ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -90.39 -18.53 25.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.459 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -94.95 -20.28 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 3.3 t -132.44 157.73 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.22 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' MET . 12.7 tptt -122.05 122.25 38.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.541 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 7.5 m-85 -97.16 116.72 29.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.8 t -114.63 98.71 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 99.7 m -94.5 149.9 20.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.294 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.77 172.05 18.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 108.319 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.835 ' C ' HD21 ' A' ' 1' ' ' LEU . 31.7 p-10 -134.72 23.42 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.6 p -104.84 137.05 43.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 13.3 m-20 -62.2 118.99 8.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.17 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' HG3' ' C ' ' A' ' 57' ' ' ASP . 3.0 mtm180 75.01 37.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.3 p -75.81 -36.78 59.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.339 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 42.1 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.398 1.061 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.63 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -112.03 115.19 28.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -110.93 145.77 37.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.356 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.3 m-20 -96.84 172.21 8.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.456 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -93.82 -157.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HG ' ' NH2' ' A' ' 36' ' ' ARG . 2.2 tp -52.77 -29.43 27.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.6 t -111.74 129.82 23.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -60.55 48.53 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 163.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 10' ' ' ALA . 3.6 tp -129.62 -50.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.456 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -105.16 128.54 53.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.638 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 43.6 p90 -150.59 154.43 37.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -137.68 -176.83 4.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.613 1.196 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.93 127.8 34.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.394 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.1 m -74.04 106.37 2.47 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 108.333 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -60.64 -174.99 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 -167.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -55.33 120.17 6.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.42 -38.57 2.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 104.61 8.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.594 ' O ' HD13 ' A' ' 1' ' ' LEU . 13.3 t-20 -117.75 20.45 13.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 95.6 mt -127.91 144.92 51.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.46 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -114.31 140.49 48.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 108.337 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.545 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.1 p90 -137.24 163.61 30.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.17 115.53 7.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.656 ' HE2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -88.36 130.91 35.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.644 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 38.2 m-85 -117.2 117.18 28.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.689 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -86.72 155.25 20.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.37 -73.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.9 m -141.34 150.14 42.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.409 1.068 . . . . 0.0 110.048 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.431 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -99.58 -21.35 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.8 mt -44.14 -26.91 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.431 ' N ' ' C ' ' A' ' 29' ' ' ASP . 44.2 p -107.83 -176.21 3.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 110.361 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.84 145.45 97.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.644 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.0 Cg_endo -65.31 -169.09 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.111 3.081 . . . . 0.0 120.111 -175.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.689 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.8 m -115.12 -42.47 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -147.88 158.82 44.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.421 ' NH2' ' HG ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -165.59 133.96 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.71 -153.66 6.65 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 4.0 m -110.42 164.79 12.34 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.8 tt -164.44 175.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.489 1.118 . . . . 0.0 109.23 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -107.01 -40.68 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.229 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.44 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 9.8 p -135.34 137.09 50.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.17 115.19 17.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.272 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 21.1 Cg_exo -63.01 -165.72 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.071 3.066 . . . . 0.0 120.071 170.209 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -74.54 -175.17 2.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -163.57 135.08 4.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.7 p -105.03 -173.68 2.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.929 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.408 ' N ' HD23 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -88.97 -17.64 29.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -84.63 -28.24 26.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.235 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 2.1 t -123.85 167.69 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' H ' HG12 ' A' ' 49' ' ' VAL . 4.0 tptp -137.87 112.52 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.656 ' CE2' ' HE2' ' A' ' 24' ' ' MET . 4.7 m-85 -89.99 99.64 12.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -99.9 102.44 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.0 m -94.1 153.52 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.269 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -154.55 171.71 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 108.292 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.63 ' C ' HD21 ' A' ' 1' ' ' LEU . 18.4 p-10 -136.29 20.58 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.46 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 34.2 p -104.43 136.72 43.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 11.4 m-20 -62.07 117.87 6.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.638 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 27.1 mtp180 78.63 36.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.2 p -76.07 -37.57 58.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 38.3 p-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 13' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.69 112.25 24.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.6 m -108.32 143.68 36.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 108.237 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -97.89 174.59 6.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -94.35 -160.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -49.84 -37.65 31.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.691 HG12 HG22 ' A' ' 9' ' ' ILE . 56.1 t -102.77 131.18 22.54 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.55 57.31 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.18 3.108 . . . . 0.0 120.18 163.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.691 HG22 HG12 ' A' ' 7' ' ' VAL . 8.7 tp -136.48 -56.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -100.92 132.83 46.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.422 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 40.4 p90 -151.37 152.28 32.9 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.13 -175.31 3.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -88.91 128.31 35.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.3 m -74.38 114.79 37.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.337 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -60.99 -179.89 0.33 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.129 3.088 . . . . 0.0 120.129 -173.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.0 122.04 12.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.92 -39.3 2.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.394 1.059 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.39 105.3 10.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -116.25 15.38 15.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 40' ' ' ASP . 18.8 mt -122.44 142.96 50.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.7 m -114.81 134.84 54.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 108.318 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.4 p90 -135.42 161.54 35.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' O ' ' CE1' ' A' ' 25' ' ' PHE . 7.4 pttt -145.76 119.5 9.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.57 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -94.53 130.04 41.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.655 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 16.3 m-85 -117.03 128.87 55.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.67 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -84.78 157.47 20.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.566 ' O ' ' CB ' ' A' ' 28' ' ' SER . 3.9 mmm 29.84 71.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 27' ' ' MET . 2.1 t 90.33 151.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.932 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.494 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -110.23 -34.02 6.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' ASP . 48.5 mt -39.8 -29.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.447 ' N ' ' C ' ' A' ' 29' ' ' ASP . 47.5 p -78.14 -161.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.42 HG23 ' HD2' ' A' ' 33' ' ' PRO . 1.1 mp -96.35 146.2 30.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.655 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 57.3 Cg_endo -63.55 162.58 27.19 Favored 'Trans proline' 0 CA--C 1.567 2.14 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -171.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.67 HG11 ' HB2' ' A' ' 26' ' ' MET . 6.8 m -105.88 -39.53 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.087 . . . . 0.0 109.255 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.34 150.15 26.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -156.37 169.0 25.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.411 ' HA2' ' NH1' ' A' ' 36' ' ' ARG . . . 172.97 -169.08 42.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 6.1 m -96.9 165.77 11.94 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 tt -165.26 174.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.653 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.3 p-10 -108.95 -41.11 4.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 7.3 p -134.0 129.34 54.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.6 1.187 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.8 t -64.17 118.83 50.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.382 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 21.0 Cg_exo -62.71 171.82 5.34 Favored 'Trans proline' 0 CA--C 1.567 2.145 0 N-CA-C 120.066 3.064 . . . . 0.0 120.066 165.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -75.11 125.89 29.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 46' ' ' SER . 39.7 t30 -75.37 165.33 25.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.454 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 95.5 p -119.98 -174.29 2.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.23 -23.11 17.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.93 -41.19 16.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 2.6 t -114.06 164.51 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 109.222 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.37 119.23 25.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.8 m-85 -92.05 110.9 22.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.169 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 11.7 t -110.52 100.38 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.0 m -98.29 152.03 19.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 108.213 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.55 169.64 23.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -131.53 27.13 4.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.375 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.524 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.5 p -112.23 141.3 46.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.142 . . . . 0.0 110.352 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.401 ' OD1' ' HA ' ' A' ' 1' ' ' LEU . 21.0 m-20 -63.89 126.74 28.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.401 ' HG3' ' C ' ' A' ' 57' ' ' ASP . 13.1 mtm180 67.29 35.54 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 56' ' ' THR . 6.2 p -75.99 -26.31 56.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.3 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.487 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 52.7 p30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 109.317 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.734 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -102.44 116.5 32.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 m -112.8 143.98 43.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 108.342 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -99.09 161.09 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.43 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -85.39 -164.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.592 HD11 ' O ' ' A' ' 34' ' ' VAL . 6.5 tp -48.95 -29.17 4.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.2 t -109.96 128.14 25.89 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -60.26 56.45 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.079 3.069 . . . . 0.0 120.079 163.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.699 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -140.49 -46.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.408 ' O ' ' HD2' ' A' ' 5' ' ' LYS . . . -105.13 133.59 49.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -155.84 151.95 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -136.61 -177.18 4.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.91 119.68 25.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.5 m -66.13 104.88 0.66 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 108.28 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -60.1 -175.52 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.197 0 N-CA-C 120.113 3.082 . . . . 0.0 120.113 -166.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -54.88 126.5 24.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.269 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.13 -42.67 1.88 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.415 1.072 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -118.0 104.61 11.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.69 ' O ' HD13 ' A' ' 1' ' ' LEU . 40.3 t30 -122.4 22.72 9.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.0 mt -127.83 125.31 39.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.6 m -96.5 133.77 40.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.557 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 2.4 p90 -133.4 164.62 26.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.615 1.197 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.14 122.38 10.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.821 ' HE2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -91.86 127.46 37.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.673 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 79.1 m-85 -112.82 115.54 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.938 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.795 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -85.66 157.95 20.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.055 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.4 mmm 57.88 -79.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.7 m -143.6 133.54 24.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -73.68 -24.41 59.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.9 mt -43.3 -27.62 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.108 . . . . 0.0 109.217 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 29' ' ' ASP . 69.4 p -106.33 177.3 4.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.447 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.59 150.69 24.34 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.673 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 58.9 Cg_endo -64.93 -176.83 0.49 Allowed 'Trans proline' 0 CA--C 1.567 2.144 0 N-CA-C 120.107 3.08 . . . . 0.0 120.107 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.795 HG11 ' HB2' ' A' ' 26' ' ' MET . 5.4 m -119.63 -42.84 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.03 157.34 43.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.43 ' NE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -167.42 139.23 3.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.54 -166.71 23.92 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.394 1.059 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -95.29 166.03 12.1 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.5 tt -165.35 176.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -113.42 -36.77 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.43 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 7.5 p -133.84 130.35 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -67.44 119.79 68.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 108.298 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.43 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 16.3 Cg_exo -65.34 161.94 35.7 Favored 'Trans proline' 0 CA--C 1.567 2.174 0 N-CA-C 120.125 3.087 . . . . 0.0 120.125 164.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -75.32 127.41 33.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.443 ' ND2' ' HA ' ' A' ' 50' ' ' LYS . 47.7 t30 -75.11 166.3 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.584 ' C ' HD13 ' A' ' 47' ' ' LEU . 78.3 p -119.74 -174.17 2.69 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.413 1.071 . . . . 0.0 110.001 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.796 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -94.12 -6.74 44.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -106.37 -14.67 15.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.9 t -135.29 168.15 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -138.57 107.57 6.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.821 ' CE2' ' HE2' ' A' ' 24' ' ' MET . 4.4 m-85 -84.48 131.97 34.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 4.4 t -127.53 98.89 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 84.5 m -94.01 149.1 21.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.264 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -154.71 170.73 20.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 0.0 108.345 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.734 ' C ' HD21 ' A' ' 1' ' ' LEU . 5.6 p30 -133.08 22.99 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 11.8 p -105.7 137.71 43.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.423 ' C ' ' CG ' ' A' ' 58' ' ' ARG . 18.7 m-20 -61.73 119.8 9.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.423 ' CG ' ' C ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER 73.52 37.7 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 110.225 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' THR . 4.3 p -75.77 -32.53 59.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 108.327 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.425 ' ND2' ' HD3' ' A' ' 36' ' ' ARG . 40.9 p-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.662 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 13.6 mttt -110.81 113.78 26.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 m -111.58 147.57 35.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.348 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.425 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -98.89 175.34 5.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -92.96 -162.15 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.723 HD23 HG23 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -49.96 -32.42 14.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.723 HG23 HD23 ' A' ' 6' ' ' LEU . 39.2 t -107.83 132.15 21.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -61.95 60.99 0.12 Allowed 'Trans proline' 0 CA--C 1.568 2.215 0 N-CA-C 120.117 3.083 . . . . 0.0 120.117 162.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -140.4 -48.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.436 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -109.51 133.02 53.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.454 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 43.3 p90 -154.14 148.08 25.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 11.5 mmmt -132.35 -173.21 3.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.68 129.82 34.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.4 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.6 m -71.82 111.59 11.07 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.499 1.124 . . . . 0.0 108.234 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -61.68 -174.92 0.14 Allowed 'Trans proline' 0 CA--C 1.567 2.173 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 -172.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.19 116.22 3.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.31 -39.45 2.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -120.92 111.78 17.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.245 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.495 ' O ' HD13 ' A' ' 1' ' ' LEU . 13.8 t-20 -115.35 -14.96 11.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.435 1.085 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 22.8 mt -101.04 158.61 15.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.451 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -121.07 148.96 43.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 108.339 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.449 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 21.4 p90 -145.42 159.28 43.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HD3' ' CB ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -145.98 116.32 7.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.549 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -91.23 132.1 36.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.644 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 82.0 m-85 -116.16 118.97 34.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.671 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -84.62 155.93 21.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.19 -78.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.4 m -132.85 151.02 52.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.956 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -100.47 -21.66 15.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 mt -44.54 -26.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.409 ' N ' ' C ' ' A' ' 29' ' ' ASP . 62.6 p -106.22 -178.19 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.92 151.77 53.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.644 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.0 Cg_endo -64.63 -174.0 0.26 Allowed 'Trans proline' 0 CA--C 1.567 2.16 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.671 HG11 ' HB2' ' A' ' 26' ' ' MET . 4.6 m -119.69 -42.35 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -149.82 157.27 43.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.27 171.75 11.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.423 ' HA2' ' NH1' ' A' ' 36' ' ' ARG . . . 165.92 -166.63 38.75 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -99.27 154.43 18.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 tt -154.4 178.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -114.43 -39.63 3.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.42 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 55.3 t -131.98 127.71 58.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.47 119.17 54.46 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 108.244 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 21.9 Cg_exo -62.09 168.15 9.59 Favored 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.119 3.084 . . . . 0.0 120.119 164.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -74.14 125.29 28.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.23 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 46' ' ' SER . 38.4 t30 -75.5 164.51 26.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.454 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 85.0 p -126.26 -178.45 4.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.818 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -90.55 -24.41 20.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.818 HD22 HD23 ' A' ' 47' ' ' LEU . 3.7 mm? -81.1 -34.91 32.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.634 HG22 ' HG2' ' A' ' 26' ' ' MET . 21.9 t -124.21 162.77 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' N ' HG12 ' A' ' 49' ' ' VAL . 12.6 tttt -125.85 117.51 23.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.549 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.8 m-85 -92.41 118.51 31.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.5 t -118.26 99.08 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 79.7 m -94.0 151.95 19.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.17 172.07 18.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 108.292 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.662 ' C ' HD21 ' A' ' 1' ' ' LEU . 36.2 p-10 -135.45 21.36 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.482 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 56.8 p -105.81 138.57 41.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 1' ' ' LEU . 22.7 m-20 -62.69 121.22 12.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.454 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 19.7 mtp180 73.83 37.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 56' ' ' THR . 2.8 p -75.72 -34.71 60.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 108.315 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 45.0 p30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 19' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -103.78 106.95 17.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -104.34 147.36 27.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.253 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.81 168.57 10.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.508 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -91.55 -157.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.412 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 4.0 tt -49.71 -38.06 31.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 42.6 t -103.87 132.34 21.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.6 Cg_exo -61.03 56.61 0.1 OUTLIER 'Trans proline' 0 CA--C 1.567 2.161 0 N-CA-C 120.189 3.111 . . . . 0.0 120.189 162.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.628 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -141.85 -47.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.508 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -103.77 126.06 50.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -144.98 155.93 43.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 111.06 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.92 -177.48 4.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.84 122.04 29.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.8 m -71.33 108.45 3.87 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 108.246 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -59.43 -175.78 0.1 OUTLIER 'Trans proline' 0 CA--C 1.568 2.214 0 N-CA-C 120.129 3.088 . . . . 0.0 120.129 -168.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -55.43 126.35 24.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.23 -44.22 1.55 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -112.28 98.9 7.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 0.731 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.518 ' O ' HD12 ' A' ' 1' ' ' LEU . 29.4 t30 -114.61 30.42 7.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 40' ' ' ASP . 44.1 mt -139.07 146.74 41.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.494 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.4 m -115.81 136.59 52.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.334 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.601 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.4 p90 -135.3 161.23 36.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 1.9 pttt -145.76 115.46 7.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.601 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.3 mpp? -92.53 131.75 37.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.666 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 52.4 m-85 -115.85 125.32 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.662 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -83.55 153.59 24.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.0 mmm 61.93 -66.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -145.35 160.09 42.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -102.15 -32.55 10.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mt -45.57 -26.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.424 ' N ' ' C ' ' A' ' 29' ' ' ASP . 62.5 p -89.65 -156.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -94.09 148.21 34.77 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.666 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 58.0 Cg_endo -64.31 175.24 3.48 Favored 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -174.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.662 HG11 ' HB2' ' A' ' 26' ' ' MET . 12.1 m -118.55 -43.88 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 2.0 tptt -147.36 145.98 29.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.367 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -160.31 140.39 11.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.14 . . . . 0.0 110.243 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.4 -156.15 8.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 3.8 m -105.31 165.59 11.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 tt -165.65 175.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.498 ' O ' HD12 ' A' ' 20' ' ' LEU . 12.5 p-10 -111.49 -39.87 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.433 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 8.5 p -134.3 128.43 52.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 t -64.41 118.71 49.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 108.351 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 18.9 Cg_exo -63.53 173.04 4.78 Favored 'Trans proline' 0 CA--C 1.569 2.242 0 N-CA-C 120.11 3.081 . . . . 0.0 120.11 165.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -75.21 127.33 32.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -74.72 165.62 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.9 p -115.92 -172.58 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.939 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.87 -28.52 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.14 -38.09 19.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 50' ' ' LYS . 3.8 t -106.29 168.22 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' H ' HG12 ' A' ' 49' ' ' VAL . 8.0 tptt -133.3 113.41 12.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.58 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.3 m-85 -88.74 115.19 26.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 111.066 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.0 t -116.44 98.72 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.1 m -94.06 153.29 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.314 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.5 171.48 19.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -136.1 27.97 3.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 76.3 p -112.81 138.26 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -61.72 119.93 9.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 73.83 39.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 2.3 p -76.14 -37.32 58.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.453 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 40.2 p-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.874 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -99.96 111.04 23.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.2 m -104.31 151.21 23.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 108.328 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -101.33 160.6 14.28 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.536 ' HD2' ' HB3' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -86.49 -160.68 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.45 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -50.66 -31.91 17.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.342 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.497 HG12 HG22 ' A' ' 9' ' ' ILE . 50.1 t -108.95 131.14 21.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.387 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.441 ' HG3' ' NH2' ' A' ' 36' ' ' ARG . 24.3 Cg_exo -60.44 47.88 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.195 0 N-CA-C 120.097 3.076 . . . . 0.0 120.097 163.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.497 HG22 HG12 ' A' ' 7' ' ' VAL . 9.8 tp -131.07 -48.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.536 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . . . -103.67 132.07 50.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -155.14 147.8 24.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.92 179.43 6.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.31 122.47 28.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.5 m -69.21 108.97 3.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 108.325 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -61.01 -174.54 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.165 3.102 . . . . 0.0 120.165 -171.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -54.63 124.79 17.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.55 -39.27 2.89 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -128.22 106.46 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.797 . . . . 0.0 109.284 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.874 ' O ' HD13 ' A' ' 1' ' ' LEU . 41.8 t30 -120.06 15.4 12.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 40' ' ' ASP . 27.6 mt -120.83 147.32 45.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.471 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 m -115.97 143.37 45.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.55 1.157 . . . . 0.0 108.347 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.611 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.0 p90 -142.84 157.67 44.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.458 1.099 . . . . 0.0 111.04 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.51 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -142.88 116.14 8.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.593 1.183 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.611 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -91.73 135.27 34.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.646 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 27.2 m-85 -117.55 119.49 35.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.639 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.9 tmm? -83.74 153.86 23.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mmt 61.28 -73.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.4 m -139.49 154.11 47.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.548 1.155 . . . . 0.0 109.951 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -101.41 -22.11 14.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.5 mt -44.76 -26.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.404 ' N ' ' C ' ' A' ' 29' ' ' ASP . 55.0 p -105.85 -177.54 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -65.18 147.47 98.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.646 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.1 Cg_endo -65.37 -173.0 0.26 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 -175.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.639 HG11 ' HB2' ' A' ' 26' ' ' MET . 3.8 m -115.68 -43.8 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.03 154.47 42.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -165.82 128.98 2.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.27 -156.28 7.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.565 1.166 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 4.2 m -105.37 165.29 11.23 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 tt -165.3 176.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 109.356 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.547 ' O ' HD12 ' A' ' 20' ' ' LEU . 13.7 t70 -112.09 -40.73 4.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.43 HG23 ' OD1' ' A' ' 40' ' ' ASP . 53.5 t -135.08 129.51 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.416 1.073 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -67.79 119.66 68.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.329 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 18.1 Cg_exo -63.73 176.86 2.06 Favored 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 164.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 128.04 34.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 46' ' ' SER . 44.5 t30 -75.86 166.22 23.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.425 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 89.4 p -124.92 177.36 6.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.05 -22.27 20.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -84.86 -27.0 27.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 50' ' ' LYS . 19.2 t -129.05 166.91 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.462 ' N ' HG12 ' A' ' 49' ' ' VAL . 24.5 tptt -128.14 116.48 20.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.405 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.9 m-85 -91.27 108.1 19.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.421 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 14.8 t -107.69 97.38 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 91.0 m -95.81 148.93 22.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 108.239 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -154.19 172.85 16.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 108.246 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.615 ' C ' HD21 ' A' ' 1' ' ' LEU . 3.8 p30 -134.15 22.07 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.514 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 9.7 p -103.98 139.63 38.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.401 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 14.1 m-20 -63.35 124.31 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.401 ' HG3' ' C ' ' A' ' 57' ' ' ASP . 29.2 mtp180 69.17 36.17 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 56' ' ' THR . 5.0 p -76.12 -27.31 57.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 108.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.437 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 44.7 p-10 . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.729 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -103.84 113.3 26.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 m -110.52 144.9 38.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 108.273 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -97.97 169.72 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.7 -156.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 tp -50.86 -37.29 42.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.56 HG12 HG22 ' A' ' 9' ' ' ILE . 42.6 t -105.76 129.57 24.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.63 55.33 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.167 0 N-CA-C 120.183 3.109 . . . . 0.0 120.183 163.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.56 HG22 HG12 ' A' ' 7' ' ' VAL . 7.2 tp -134.87 -47.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -110.34 131.43 55.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.481 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 35.6 p90 -147.4 157.22 43.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.09 -178.36 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.3 121.99 28.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.7 m -69.5 106.05 1.36 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -59.59 -174.83 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.204 0 N-CA-C 120.067 3.064 . . . . 0.0 120.067 -165.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -54.81 124.38 16.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.49 -40.6 2.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -115.68 107.92 15.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 0.721 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.729 ' O ' HD13 ' A' ' 1' ' ' LEU . 54.1 t30 -121.96 15.49 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.249 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 40' ' ' ASP . 54.4 mt -121.4 143.22 49.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -115.75 131.84 56.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.241 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.6 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 4.3 p90 -131.12 162.15 30.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -145.9 114.64 6.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.6 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -90.41 129.02 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 111.026 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.682 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 82.4 m-85 -112.44 121.78 45.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 110.965 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.732 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -84.19 153.09 23.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.988 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.89 -67.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.052 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -148.4 159.03 44.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -100.19 -34.7 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.5 mt -42.98 -27.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.436 ' N ' ' C ' ' A' ' 29' ' ' ASP . 55.9 p -89.99 -154.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.465 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -98.03 145.46 29.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.682 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 56.4 Cg_endo -63.12 -173.1 0.15 Allowed 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -171.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.732 HG11 ' HB2' ' A' ' 26' ' ' MET . 4.7 m -126.36 -43.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -148.45 150.43 33.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.428 1.08 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.74 131.72 2.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 110.269 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.36 -152.08 5.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 4.6 m -108.37 164.76 12.04 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 tt -165.36 175.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.58 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.5 p-10 -109.05 -39.25 5.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.413 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 58.1 t -135.08 128.99 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.09 119.49 56.01 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 108.339 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 23.0 Cg_exo -61.37 171.5 4.17 Favored 'Trans proline' 0 CA--C 1.567 2.151 0 N-CA-C 120.101 3.077 . . . . 0.0 120.101 164.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -75.14 126.42 30.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 46' ' ' SER . 40.9 t30 -75.41 165.44 25.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.423 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 86.8 p -127.29 -179.55 4.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.024 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.9 -21.13 20.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.407 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -86.37 -27.1 24.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 14.5 t -131.19 160.32 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -122.16 117.68 26.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.55 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 6.3 m-85 -93.85 106.08 18.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.074 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.23 99.34 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 88.8 m -94.32 154.89 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.346 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.42 173.35 16.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.487 ' O ' HD11 ' A' ' 1' ' ' LEU . 6.0 p30 -135.91 20.31 3.26 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.494 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 41.6 p -105.08 140.35 38.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 1.146 . . . . 0.0 110.351 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -62.7 123.39 18.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.481 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 21.0 mtp180 70.52 38.54 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.263 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.9 p -76.43 -38.66 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 108.266 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.457 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 35.4 p-10 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -103.54 119.04 38.12 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -117.01 149.08 40.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 108.297 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -95.33 158.83 15.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.564 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -87.19 -156.82 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.495 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 6.3 tp -50.66 -30.61 14.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.5 HG12 HG22 ' A' ' 9' ' ' ILE . 77.5 t -111.18 132.32 21.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -60.51 55.05 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.082 3.07 . . . . 0.0 120.082 162.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.5 HG22 HG12 ' A' ' 7' ' ' VAL . 6.5 tp -143.08 -51.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.564 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -97.94 126.69 43.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.221 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -146.77 152.74 39.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -136.1 -176.94 4.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -85.32 119.23 25.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.8 m -67.65 104.61 0.69 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 108.259 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -58.26 -174.88 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.193 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -167.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -54.92 125.95 22.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.89 -40.05 2.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.088 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -116.41 99.11 6.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.41 ' O ' HD13 ' A' ' 1' ' ' LEU . 50.8 t30 -118.44 23.97 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 50.6 mt -129.22 140.74 51.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.462 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.7 m -112.5 129.93 56.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.351 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.536 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.5 p90 -128.07 166.64 18.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -145.96 120.88 9.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.585 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 36.3 mtm -89.38 127.48 35.82 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.632 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 55.3 m-85 -113.2 112.8 24.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.698 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.1 tmm? -85.02 156.82 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.23 -80.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.154 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.9 m -140.01 133.78 30.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -76.57 -25.81 54.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.5 mt -42.28 -28.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 29' ' ' ASP . 80.5 p -105.72 173.38 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.93 149.19 18.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.632 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 60.2 Cg_endo -65.54 -172.04 0.23 Allowed 'Trans proline' 0 CA--C 1.567 2.158 0 N-CA-C 120.112 3.082 . . . . 0.0 120.112 -177.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.698 HG11 ' HB2' ' A' ' 26' ' ' MET . 15.6 m -123.06 -41.8 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.28 155.87 43.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.495 ' CZ ' ' O ' ' A' ' 6' ' ' LEU . 4.0 ptp180 -167.08 134.28 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.365 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.43 -159.15 9.86 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.449 1.093 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 4.0 m -105.12 165.66 10.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 tt -165.57 175.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -111.98 -35.71 5.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.42 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 56.5 t -135.62 128.71 47.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.68 119.31 56.29 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 108.317 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 17.0 Cg_exo -64.5 161.77 33.7 Favored 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.06 3.061 . . . . 0.0 120.06 164.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.19 125.54 29.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.454 ' ND2' ' HA ' ' A' ' 50' ' ' LYS . 45.0 t30 -75.86 165.2 25.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.6 p -114.35 -176.44 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -92.08 -2.2 56.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -108.93 -22.28 12.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 50' ' ' LYS . 19.5 t -127.46 167.0 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -136.92 108.32 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.8 m-85 -84.6 135.76 34.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 11.1 t -129.39 97.14 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.2 m -93.94 151.79 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.76 170.98 20.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 108.356 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -131.07 26.04 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 73.1 p -111.85 138.38 48.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 110.388 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 1' ' ' LEU . 13.5 m-20 -61.32 120.14 9.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 72.94 40.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.322 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 2.9 p -75.72 -35.95 60.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 108.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 42.1 p-10 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.523 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -110.69 114.18 27.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.407 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 5.5 m -109.59 146.96 33.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 108.297 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -106.39 163.82 12.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -87.46 -159.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.362 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tt -50.0 -33.03 16.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.1 t -113.69 127.53 26.72 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -60.15 41.07 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.137 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 164.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.866 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -115.89 -33.02 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.418 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -128.38 132.76 48.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -152.57 155.61 37.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.69 -173.74 3.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -86.24 124.03 32.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.407 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.407 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 91.8 m -68.5 104.1 0.64 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 108.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -58.88 -175.08 0.08 OUTLIER 'Trans proline' 0 CA--C 1.569 2.238 0 N-CA-C 120.085 3.071 . . . . 0.0 120.085 -164.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -55.1 125.34 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.72 -38.76 3.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -114.88 106.24 13.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.523 ' O ' HD13 ' A' ' 1' ' ' LEU . 56.3 t30 -120.42 10.9 11.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 87.3 mt -118.45 141.52 48.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.441 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -115.22 126.82 55.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.603 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 7.8 p90 -122.74 163.47 20.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -146.05 113.76 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.2 mpp? -89.99 129.25 36.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.672 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 46.2 m-85 -112.44 121.81 45.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.682 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.5 tmm? -84.38 154.8 22.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 62.05 -69.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.6 m -150.04 150.44 31.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.056 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.3 OUTLIER -94.65 -22.18 18.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.9 mt -45.68 -26.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 29' ' ' ASP . 71.8 p -101.62 -157.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.19 148.14 46.74 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.672 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 58.2 Cg_endo -64.66 -173.52 0.24 Allowed 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 -175.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' A' ' 26' ' ' MET . 4.8 m -122.01 -43.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -149.07 153.11 37.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.437 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -165.89 134.79 3.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.51 -158.65 8.79 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 6.6 m -102.4 163.49 12.2 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 tt -163.49 174.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.23 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -110.62 -35.9 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.431 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 55.4 t -137.11 127.55 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.97 117.72 38.76 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 0.0 108.343 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 22.0 Cg_exo -62.37 171.87 4.92 Favored 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.119 3.084 . . . . 0.0 120.119 166.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -75.35 126.64 31.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 46' ' ' SER . 38.9 t30 -75.39 165.04 25.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.546 ' C ' HD13 ' A' ' 47' ' ' LEU . 86.2 p -123.4 178.88 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.816 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -90.65 -16.42 28.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.369 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -91.42 -32.1 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.463 HG22 ' HG2' ' A' ' 26' ' ' MET . 21.0 t -123.77 165.62 20.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.609 1.193 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 49' ' ' VAL . 9.5 tptt -127.2 113.61 16.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.9 m-85 -89.29 103.12 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.17 101.5 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 84.2 m -94.08 152.98 18.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 108.263 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.47 167.92 28.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.473 ' C ' HD21 ' A' ' 1' ' ' LEU . 18.4 p-10 -130.56 24.16 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 11.2 p -106.55 136.5 46.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 15.8 m-20 -62.21 118.86 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER 77.24 35.26 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 56' ' ' THR . 4.7 p -75.83 -36.77 59.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.168 . . . . 0.0 108.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 55.0 p30 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -107.24 111.86 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 m -110.81 147.13 35.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -99.84 163.31 12.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -87.81 -162.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tt -49.42 -25.92 2.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.513 HG12 HG22 ' A' ' 9' ' ' ILE . 78.1 t -113.77 126.58 27.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.67 48.62 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.155 0 N-CA-C 120.109 3.08 . . . . 0.0 120.109 163.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.513 HG22 HG12 ' A' ' 7' ' ' VAL . 6.8 tp -131.65 -46.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.452 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -108.85 129.36 55.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -149.35 152.12 35.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -134.73 -173.73 3.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.78 124.48 31.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.8 m -68.38 107.32 1.86 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 108.274 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -59.41 -174.78 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.223 0 N-CA-C 120.074 3.067 . . . . 0.0 120.074 -165.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.5 128.91 34.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.83 -38.67 3.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.15 106.72 15.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.418 ' O ' HD13 ' A' ' 1' ' ' LEU . 12.5 t-20 -123.15 15.14 9.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 91.4 mt -122.59 142.71 50.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.446 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -112.05 136.33 51.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 108.29 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.603 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 2.6 p90 -135.45 160.24 39.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 22.5 pttt -145.89 113.33 6.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.9 mpp? -88.82 134.66 33.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.614 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 32.1 m-85 -118.35 120.14 36.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.08 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.727 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.1 tmm? -87.2 154.47 20.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.2 mtt 61.39 -72.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.7 m -145.63 144.91 30.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -91.04 -21.71 21.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.087 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.7 mt -43.47 -27.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.422 ' N ' ' C ' ' A' ' 29' ' ' ASP . 43.3 p -108.17 -178.68 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 110.463 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.52 143.25 98.56 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.234 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.614 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.3 Cg_endo -65.26 -166.3 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.146 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -171.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.727 HG11 ' HB2' ' A' ' 26' ' ' MET . 3.1 m -117.68 -45.34 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.083 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -147.62 153.3 39.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.431 ' HD3' ' ND2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -166.22 131.88 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.8 -153.9 6.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 6.7 m -106.12 165.77 10.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 tt -165.4 174.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -109.95 -34.68 6.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.418 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 65.9 t -141.38 128.2 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.92 119.95 62.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 108.346 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 20.7 Cg_exo -62.73 174.56 2.84 Favored 'Trans proline' 0 CA--C 1.568 2.205 0 N-CA-C 120.13 3.088 . . . . 0.0 120.13 164.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.55 128.52 35.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 46' ' ' SER . 40.9 t30 -75.68 165.66 24.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 79.4 p -123.25 178.13 5.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -23.21 20.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -86.74 -26.82 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.609 HG22 ' HG2' ' A' ' 26' ' ' MET . 25.1 t -126.53 163.43 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 49' ' ' VAL . 2.7 tttt -127.02 114.97 18.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.562 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.5 m-85 -90.71 110.02 21.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.405 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 2.5 t -109.88 96.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 87.1 m -94.66 152.81 18.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 108.305 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -155.34 170.56 21.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 108.334 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 -133.02 30.18 4.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.491 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.3 p -114.53 140.44 48.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' OD1' ' HA ' ' A' ' 1' ' ' LEU . 21.3 m-20 -62.6 122.64 16.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 69.45 37.89 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.223 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 56' ' ' THR . 5.0 p -75.63 -37.31 59.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.303 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.457 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 39.4 p-10 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.919 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -105.48 105.58 15.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 m -100.93 146.99 26.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 108.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.6 OUTLIER -100.14 172.2 7.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.499 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 3.9 mttp -92.17 -158.26 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 tp -49.74 -38.56 34.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.9 t -106.27 133.57 20.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.68 58.93 0.12 Allowed 'Trans proline' 0 CA--C 1.569 2.227 0 N-CA-C 120.086 3.072 . . . . 0.0 120.086 162.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.812 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -133.84 -44.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.62 141.67 47.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -154.17 153.93 32.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.68 178.83 6.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.76 119.37 25.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.9 m -70.4 105.81 1.39 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.185 . . . . 0.0 108.324 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -59.89 -174.85 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.157 0 N-CA-C 120.146 3.095 . . . . 0.0 120.146 -168.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -54.94 128.31 32.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 110.23 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.06 -42.65 1.84 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -116.71 98.21 6.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.919 ' O ' HD13 ' A' ' 1' ' ' LEU . 26.1 t30 -115.58 18.32 15.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.4 mt -122.67 144.68 48.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.451 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -116.07 139.77 49.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 108.286 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.532 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.1 p90 -140.9 163.05 33.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -145.51 124.58 12.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.22 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.54 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -92.42 130.13 38.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.69 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.0 m-85 -115.4 118.23 32.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.729 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -86.5 156.54 20.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.3 mtp 57.3 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.6 m -138.17 143.19 40.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.077 . . . . 0.0 110.012 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -89.45 -23.33 22.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.3 mt -43.16 -27.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.243 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.416 ' N ' ' C ' ' A' ' 29' ' ' ASP . 69.0 p -107.1 177.32 4.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.557 1.161 . . . . 0.0 110.436 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.8 149.14 23.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.69 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.0 Cg_endo -65.16 -172.36 0.22 Allowed 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.729 HG11 ' HB2' ' A' ' 26' ' ' MET . 3.6 m -119.56 -44.47 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -149.43 162.06 40.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.507 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.19 163.68 17.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.351 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' HA2' ' NH1' ' A' ' 36' ' ' ARG . . . 175.98 -171.92 44.94 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.415 1.072 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -94.8 165.69 12.35 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 tt -165.47 174.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -112.52 -31.67 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.425 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 77.8 t -139.41 127.8 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 t -64.66 119.09 54.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 21.3 Cg_exo -62.37 169.07 8.57 Favored 'Trans proline' 0 CA--C 1.567 2.15 0 N-CA-C 120.153 3.097 . . . . 0.0 120.153 165.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -74.28 125.04 27.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -75.57 165.73 24.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.219 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 p -122.99 -167.55 1.61 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 109.911 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.5 -36.76 9.08 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -78.93 -7.87 58.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 t -142.44 163.4 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.241 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -133.01 123.25 25.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.54 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.7 m-85 -99.01 121.81 41.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 t -119.49 98.62 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.4 m -94.29 150.07 20.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 108.329 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.96 171.21 20.08 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.124 . . . . 0.0 108.336 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.745 ' C ' HD21 ' A' ' 1' ' ' LEU . 2.5 p30 -133.92 24.58 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.493 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.2 p -107.01 138.63 42.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.364 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -62.71 120.68 11.7 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mtm-85 74.0 36.33 0.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 56' ' ' THR . 4.4 p -76.36 -32.73 58.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 108.341 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.417 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 37.6 p-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.705 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 14.0 mtmm -106.95 120.61 42.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.6 m -112.37 152.98 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.421 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 3.0 m-20 -101.96 168.03 9.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.529 ' HD2' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -93.27 -160.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.514 HD21 ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -51.35 -35.88 40.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.699 HG12 HG22 ' A' ' 9' ' ' ILE . 68.2 t -104.08 131.08 22.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -59.94 52.77 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.199 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 163.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.699 HG22 HG12 ' A' ' 7' ' ' VAL . 4.0 tp -137.71 -46.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.529 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . . . -103.72 130.7 51.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.421 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 48.2 p90 -155.49 144.52 20.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -134.62 -171.44 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.66 128.88 34.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.389 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.3 m -64.99 117.24 37.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -59.26 -174.92 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.134 3.09 . . . . 0.0 120.134 -169.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -55.15 112.02 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.256 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.44 -38.44 3.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.0 mttt -105.19 110.75 23.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -118.36 -25.63 6.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.436 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 6.2 mt -94.23 151.86 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.458 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -115.36 149.21 38.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 108.259 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.584 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 2.9 p90 -145.33 160.19 41.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HB3' ' CB ' ' A' ' 36' ' ' ARG . 3.4 pttt -145.94 116.21 7.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.064 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -92.28 131.51 37.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.667 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 36.2 m-85 -112.66 123.6 50.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.67 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.2 tmm? -83.54 156.01 23.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 mmt 55.08 -82.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.3 m -127.59 148.9 50.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -100.61 -19.61 16.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.244 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.6 mt -45.27 -26.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 29' ' ' ASP . 60.4 p -106.31 -168.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.378 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.94 150.16 98.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.667 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.9 Cg_endo -65.95 -171.68 0.23 Allowed 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.151 3.097 . . . . 0.0 120.151 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.67 HG11 ' HB2' ' A' ' 26' ' ' MET . 6.4 m -121.42 -43.58 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.87 155.8 41.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 6' ' ' LEU . 4.3 ptp180 -165.4 136.31 3.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.17 -159.69 8.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.432 ' CB ' ' HB3' ' A' ' 18' ' ' LYS . 22.0 m -106.05 163.02 13.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.5 tt -163.35 172.74 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -112.11 -28.32 8.03 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.429 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 59.8 t -142.95 127.06 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.4 t -64.07 118.47 46.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 108.312 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 16.8 Cg_exo -64.7 173.15 5.92 Favored 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.143 3.094 . . . . 0.0 120.143 165.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -75.22 126.93 32.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 46' ' ' SER . 34.3 t30 -75.1 165.11 25.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 59.5 p -121.55 -179.23 4.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.79 -20.73 20.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.074 . . . . 0.0 109.313 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -86.4 -31.14 21.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 50' ' ' LYS . 18.7 t -126.6 165.01 25.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' N ' HG12 ' A' ' 49' ' ' VAL . 3.2 tttp -126.57 114.9 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.39 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.574 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.2 m-85 -87.35 113.5 23.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.455 HG21 ' CE1' ' A' ' 25' ' ' PHE . 4.2 t -113.74 99.15 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.9 m -94.42 152.07 18.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 108.318 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.68 172.33 18.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.26 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.705 ' C ' HD21 ' A' ' 1' ' ' LEU . 23.8 p-10 -135.86 25.71 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.7 p -108.07 137.39 46.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.496 1.122 . . . . 0.0 110.381 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -61.9 118.16 6.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 75.86 37.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.24 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.7 p -75.76 -34.29 60.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.284 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 34.7 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -104.42 111.97 24.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.0 m -107.76 150.46 26.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 108.281 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -101.15 167.16 10.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.645 ' HD2' ' HB3' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -91.52 -154.42 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.1 tp -49.97 -41.9 47.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.2 t -106.82 139.34 20.28 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -60.75 49.7 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.199 0 N-CA-C 120.13 3.089 . . . . 0.0 120.13 162.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 10' ' ' ALA . 7.3 tp -129.1 -49.21 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.645 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . . . -104.15 130.15 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.639 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 43.0 p90 -154.17 146.6 23.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -133.23 -175.46 3.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -86.15 123.31 31.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.453 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.1 m -69.56 109.68 5.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 108.347 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -59.04 -174.84 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.149 0 N-CA-C 120.03 3.05 . . . . 0.0 120.03 -168.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -54.85 129.17 36.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.223 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.43 -39.21 2.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.442 1.089 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.51 107.74 15.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.545 ' O ' HD13 ' A' ' 1' ' ' LEU . 41.5 t30 -127.29 14.14 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 81.1 mt -119.43 139.81 51.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.476 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -109.76 140.18 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 108.361 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.611 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.1 p90 -139.06 159.88 41.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -145.44 114.19 6.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.611 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -91.63 133.77 35.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.682 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 51.3 m-85 -115.88 123.99 49.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.666 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -84.34 154.05 23.12 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 111.08 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 63.08 -67.6 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.7 m -152.06 151.94 31.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.963 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -89.98 -25.63 20.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.0 mt -45.27 -26.04 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.403 ' N ' ' C ' ' A' ' 29' ' ' ASP . 60.4 p -103.33 178.32 4.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.108 . . . . 0.0 110.388 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.47 148.16 98.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.682 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 57.8 Cg_endo -64.46 -172.97 0.2 Allowed 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.165 3.102 . . . . 0.0 120.165 -174.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.666 HG11 ' HB2' ' A' ' 26' ' ' MET . 7.9 m -124.66 -44.55 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -144.34 151.59 39.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.68 132.51 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.406 1.066 . . . . 0.0 110.351 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.17 -163.9 13.38 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 4.2 m -96.06 166.14 11.91 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 tt -165.06 175.39 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -111.18 -35.39 5.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.416 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 59.2 t -140.08 128.43 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.96 119.52 55.79 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.463 1.102 . . . . 0.0 108.224 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 22.1 Cg_exo -61.83 169.76 6.81 Favored 'Trans proline' 0 CA--C 1.568 2.201 0 N-CA-C 120.139 3.092 . . . . 0.0 120.139 164.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -75.15 126.07 30.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 49' ' ' VAL . 44.9 t30 -75.43 165.86 24.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' VAL . 59.8 p -129.32 178.76 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.508 ' H ' HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -88.06 -19.75 26.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.37 -38.85 21.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.497 HG22 ' HG2' ' A' ' 26' ' ' MET . 23.8 t -122.96 162.1 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -123.73 116.5 23.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.58 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.6 m-85 -90.85 116.33 28.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.2 t -114.9 98.34 6.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 90.1 m -94.81 150.33 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.269 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.55 168.72 25.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 108.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -131.25 29.79 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.5 p -112.11 135.98 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.04 118.25 7.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.639 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 11.5 mtp180 76.39 36.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 56' ' ' THR . 2.6 p -76.03 -32.67 59.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 40.1 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.626 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 9.2 mttt -104.46 117.72 34.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.6 m -113.63 152.04 30.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -102.83 168.47 9.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 -160.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.513 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 5.3 tp -55.53 -23.77 28.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.233 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.4 t -114.96 119.23 39.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -57.51 47.56 0.05 OUTLIER 'Trans proline' 0 CA--C 1.569 2.246 0 N-CA-C 120.086 3.072 . . . . 0.0 120.086 166.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.08 -44.68 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.58 134.85 52.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -155.21 149.21 25.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 14.9 ptpt -133.75 -173.84 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.61 126.43 33.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.373 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.0 m -66.42 108.16 2.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 108.253 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -61.92 -174.75 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.168 0 N-CA-C 120.096 3.076 . . . . 0.0 120.096 -172.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -55.28 116.17 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.247 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.99 -35.93 3.62 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -128.08 111.86 13.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -114.24 -22.72 9.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 8.7 mt -95.09 155.65 16.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.452 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 m -116.99 147.41 42.33 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.492 1.12 . . . . 0.0 108.359 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.57 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 5.9 p90 -143.76 159.46 42.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.597 1.185 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.477 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -145.84 113.99 6.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.362 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.57 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -89.42 132.58 34.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.628 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 47.5 m-85 -115.22 119.34 36.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.711 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.2 tmm? -84.51 154.07 22.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 111.014 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 61.0 -72.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.4 m -141.63 154.61 45.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.26 -22.47 14.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.1 mt -45.8 -25.86 0.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.8 p -106.02 -175.66 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 110.418 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.0 146.24 98.11 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.5 Cg_endo -65.25 -167.63 0.1 Allowed 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.061 3.062 . . . . 0.0 120.061 -173.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.711 HG11 ' HB2' ' A' ' 26' ' ' MET . 3.3 m -120.83 -44.22 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -147.12 154.08 40.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.513 ' CZ ' ' O ' ' A' ' 6' ' ' LEU . 3.6 ptp180 -165.79 131.14 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.46 -155.34 6.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.1 m -108.27 159.71 16.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 tt -160.48 177.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -114.25 -35.71 4.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 55.0 t -137.06 128.12 41.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -64.14 119.12 52.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 108.342 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 20.8 Cg_exo -62.75 172.29 4.85 Favored 'Trans proline' 0 CA--C 1.567 2.135 0 N-CA-C 120.143 3.093 . . . . 0.0 120.143 164.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -75.21 126.3 30.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 46' ' ' SER . 37.3 t30 -75.25 165.25 25.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.424 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 66.5 p -121.3 178.07 4.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.973 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.34 -16.01 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -94.3 -24.44 17.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.499 HG22 ' HG2' ' A' ' 26' ' ' MET . 23.5 t -130.06 165.16 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' N ' HG12 ' A' ' 49' ' ' VAL . 6.2 tptt -127.4 116.17 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.502 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.3 m-85 -91.77 100.78 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -102.19 100.06 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.52 152.65 18.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.152 . . . . 0.0 108.233 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.49 169.58 23.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 108.303 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.626 ' C ' HD21 ' A' ' 1' ' ' LEU . 3.5 p30 -132.94 23.18 4.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.9 p -104.95 137.46 42.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.401 1.063 . . . . 0.0 110.403 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -62.22 119.26 8.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 74.66 37.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.9 p -76.05 -36.06 59.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 108.292 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.477 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 36.1 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.17 114.34 28.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -109.4 151.2 26.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.333 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -101.26 162.34 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -86.11 -158.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -50.05 -39.47 42.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.693 HG12 HG22 ' A' ' 9' ' ' ILE . 55.3 t -102.99 133.5 20.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -60.58 56.03 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.199 0 N-CA-C 120.113 3.082 . . . . 0.0 120.113 162.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.693 HG22 HG12 ' A' ' 7' ' ' VAL . 7.6 tp -138.07 -56.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.524 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -97.3 129.65 44.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.652 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 51.5 p90 -151.71 149.21 28.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -134.71 -175.85 4.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.01 128.85 34.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.415 1.072 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.0 m -74.24 110.42 9.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 108.264 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -60.33 -175.08 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.209 0 N-CA-C 120.154 3.098 . . . . 0.0 120.154 -170.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.07 124.4 16.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.355 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.9 -43.6 1.67 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.87 109.25 18.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.823 ' O ' HD13 ' A' ' 1' ' ' LEU . 64.2 t30 -127.05 19.11 7.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 10.9 mt -126.33 136.01 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -106.26 131.0 54.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 4.8 p90 -129.97 164.65 23.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -146.12 112.9 6.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.414 1.071 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.547 ' O ' HG22 ' A' ' 34' ' ' VAL . 19.2 mtp -84.73 128.72 34.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.641 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 72.1 m-85 -112.34 116.98 31.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.799 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -87.99 158.99 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.384 1.053 . . . . 0.0 111.003 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 54.95 -83.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.6 m -137.22 127.03 25.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.98 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -71.7 -22.93 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.9 mt -42.74 -27.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 29' ' ' ASP . 68.0 p -106.65 176.37 5.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.416 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.08 148.43 29.45 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.641 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 58.4 Cg_endo -64.41 -172.11 0.18 Allowed 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.166 3.102 . . . . 0.0 120.166 -177.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.799 HG11 ' HB2' ' A' ' 26' ' ' MET . 6.5 m -121.81 -41.97 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -145.05 152.33 39.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.95 129.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 110.267 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.81 -156.59 8.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.561 1.163 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 5.2 m -101.99 163.56 12.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 tt -165.31 177.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -113.8 -36.29 4.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.405 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 12.6 p -132.92 132.07 59.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -64.75 119.85 61.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 108.311 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.561 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 31.2 Cg_exo -57.9 163.29 9.66 Favored 'Trans proline' 0 CA--C 1.567 2.129 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 165.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -75.46 141.16 43.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.452 ' OD1' ' HB2' ' A' ' 51' ' ' TYR . 4.1 m-20 -73.82 -173.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.428 ' OG ' HG23 ' A' ' 49' ' ' VAL . 78.1 p -150.25 -178.34 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.539 HD23 ' C ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -97.68 -2.78 40.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.483 ' C ' ' CG2' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -128.49 7.22 5.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.383 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.483 ' CG2' ' C ' ' A' ' 48' ' ' LEU . 1.4 t -153.31 163.78 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.07 118.35 8.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 43' ' ' PRO . 11.8 m-85 -92.82 128.62 38.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 6.4 t -121.63 96.12 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 45.0 m -93.78 153.04 18.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.294 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.98 173.72 16.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.533 ' O ' HD21 ' A' ' 1' ' ' LEU . 25.5 p-10 -131.2 22.28 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 41.1 p -107.75 138.08 44.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -61.21 120.61 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.652 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 23.2 mtp180 71.73 40.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.348 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.2 p -75.6 -35.64 60.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.277 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 44.7 p30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.642 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -107.88 110.08 21.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.1 m -106.2 149.18 27.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.076 . . . . 0.0 108.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -104.67 166.75 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -160.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tp -49.67 -33.07 14.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.601 1.188 . . . . 0.0 109.275 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 63.3 t -112.82 123.35 33.95 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -58.71 42.13 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.078 3.068 . . . . 0.0 120.078 166.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.749 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -116.94 -33.32 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.47 130.45 49.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 5.5 p90 -148.81 157.01 43.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.964 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.02 -177.61 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.86 125.29 32.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.558 1.161 . . . . 0.0 110.449 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.6 m -75.15 106.45 2.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 108.346 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -61.32 -175.03 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.177 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 -168.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -55.49 120.23 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.46 -41.56 1.96 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -124.65 104.53 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 0.0 109.212 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.521 ' O ' HD13 ' A' ' 1' ' ' LEU . 16.4 t30 -118.63 21.79 12.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 91.9 mt -127.27 135.85 51.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.464 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -107.23 126.21 52.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.3 p90 -124.34 160.36 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HB3' ' CB ' ' A' ' 36' ' ' ARG . 7.5 pttt -145.18 111.79 5.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.592 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.3 mpp? -84.69 133.4 34.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 7.0 m-85 -117.96 116.81 27.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.719 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -86.77 155.47 20.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.95 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.47 ' C ' ' O ' ' A' ' 26' ' ' MET . 0.2 OUTLIER 30.45 87.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.8 m 65.65 139.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -103.03 -12.39 17.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.8 mt -45.08 -26.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' ASP . 36.1 p -102.07 177.43 4.89 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.579 1.175 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.72 140.07 96.16 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.589 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 38.4 Cg_endo -58.32 -170.03 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 120.106 3.079 . . . . 0.0 120.106 -171.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.719 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.4 m -114.44 -46.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.29 156.62 43.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.408 ' CB ' ' HB3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -166.09 128.93 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.09 -154.91 6.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 3.9 m -106.29 164.12 12.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.5 tt -165.49 175.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.443 ' OD2' HG23 ' A' ' 41' ' ' VAL . 9.1 p-10 -104.63 -36.72 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.357 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.443 HG23 ' OD2' ' A' ' 40' ' ' ASP . 94.0 t -141.36 141.24 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.49 119.1 53.89 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 108.25 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 24.1 Cg_exo -60.7 -170.62 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.126 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 166.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -176.46 3.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -163.87 140.56 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.1 p -114.44 -172.66 2.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.22 -11.05 53.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.75 -36.2 17.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 t -120.37 167.26 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -137.29 107.2 6.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.588 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 6.3 m-85 -85.2 93.57 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.47 100.95 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 98.7 m -94.48 153.15 18.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 108.272 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -154.91 170.85 20.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 108.224 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.642 ' C ' HD21 ' A' ' 1' ' ' LEU . 29.6 p-10 -134.92 22.77 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 15.3 p -105.75 137.41 43.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 10.4 m-20 -62.32 118.21 7.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.41 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 3.3 mtt180 77.48 35.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.5 p -75.91 -36.97 59.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 48.2 p30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -109.47 116.82 32.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -112.07 142.93 43.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 108.247 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -96.1 165.01 12.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.593 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -88.11 -163.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 34' ' ' VAL . 4.5 tp -49.29 -27.8 4.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.2 t -110.13 131.48 21.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -61.47 57.21 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.136 0 N-CA-C 120.071 3.066 . . . . 0.0 120.071 162.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -145.35 -50.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.365 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.593 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -99.59 126.98 45.68 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -148.79 161.5 41.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -145.23 -177.1 5.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.431 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -84.7 123.73 30.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.2 m -70.37 104.12 0.77 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 108.321 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -60.07 -174.85 0.1 OUTLIER 'Trans proline' 0 CA--C 1.568 2.186 0 N-CA-C 120.231 3.127 . . . . 0.0 120.231 -165.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -54.88 125.91 22.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.48 -43.9 1.58 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -111.95 101.66 9.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.372 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.457 ' O ' HD13 ' A' ' 1' ' ' LEU . 11.6 t-20 -118.06 23.56 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.425 1.078 . . . . 0.0 109.356 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 40' ' ' ASP . 53.5 mt -129.88 139.34 51.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.1 m -109.57 131.03 55.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 108.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.527 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.4 p90 -130.42 161.73 30.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HG3' ' HB ' ' A' ' 52' ' ' VAL . 23.5 pttt -145.69 110.77 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.597 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -84.46 131.29 34.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.886 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 34.6 m-85 -115.4 119.27 35.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.793 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -85.44 155.94 21.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.9 mtp 59.06 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.8 m -140.67 145.31 36.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -90.79 -23.85 20.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.2 mt -42.71 -27.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.225 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 29' ' ' ASP . 53.8 p -108.45 177.85 4.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.36 144.73 77.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.559 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 61.3 Cg_endo -66.37 -165.98 0.1 Allowed 'Trans proline' 0 CA--C 1.567 2.163 0 N-CA-C 120.166 3.102 . . . . 0.0 120.166 -175.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.793 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.4 m -118.42 -46.92 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.53 156.04 42.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' NE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.03 135.82 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.7 -156.74 8.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.76 164.19 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 tt -165.43 175.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' O ' HD12 ' A' ' 20' ' ' LEU . 7.3 t70 -108.42 -32.58 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.426 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 2.5 p -141.66 141.63 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.8 t -64.56 116.43 28.62 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.279 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.575 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 39.6 Cg_exo -57.12 -165.52 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.14 3.092 . . . . 0.0 120.14 170.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -176.43 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.09 129.8 2.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 49' ' ' VAL . 36.6 p -121.04 -171.33 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.938 HD22 ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -91.06 -24.75 19.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.555 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -78.01 -26.42 48.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -128.88 167.76 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -140.34 118.61 12.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.597 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 9.3 m-85 -97.93 96.47 8.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.41 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 2.2 t -91.2 99.29 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 75.1 m -94.9 150.39 20.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 108.312 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.93 171.02 20.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 108.268 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -135.02 27.82 3.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.508 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 17.4 p -112.8 141.67 46.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -63.11 123.6 19.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 70.54 36.49 1.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.403 1.064 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 56' ' ' THR . 5.7 p -76.28 -38.7 55.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 108.279 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.421 ' ND2' ' HD3' ' A' ' 36' ' ' ARG . 40.9 p-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.45 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -107.72 114.88 29.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 m -112.14 151.2 29.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 108.272 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -99.6 163.98 12.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -90.03 -155.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 6' ' ' LEU . 2.5 tm? -50.84 -42.16 58.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.645 HG12 HG22 ' A' ' 9' ' ' ILE . 53.3 t -102.98 133.56 20.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.6 Cg_exo -60.9 56.88 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.125 0 N-CA-C 120.166 3.102 . . . . 0.0 120.166 162.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.645 HG22 HG12 ' A' ' 7' ' ' VAL . 6.5 tp -137.87 -55.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.521 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -100.54 129.22 46.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -147.28 153.48 39.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.72 -178.61 5.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -85.55 126.05 33.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.0 m -73.82 110.88 10.16 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 108.323 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -59.18 -174.79 0.08 OUTLIER 'Trans proline' 0 CA--C 1.569 2.239 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 -168.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -54.74 127.24 27.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.65 -39.4 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -109.13 88.48 2.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.449 ' O ' HD13 ' A' ' 1' ' ' LEU . 23.9 t30 -112.64 20.52 16.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.0 mt -126.31 144.48 50.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.483 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.2 m -115.39 140.2 49.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.0 p90 -140.88 164.41 30.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.146 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -146.04 119.29 8.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.593 ' O ' HG22 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -91.75 125.39 36.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.688 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.6 m-85 -110.37 118.3 35.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.606 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -88.15 156.23 19.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.478 ' C ' ' O ' ' A' ' 26' ' ' MET . 0.0 OUTLIER 31.23 84.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.1 m 65.08 139.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.47 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -103.02 -16.32 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.2 mt -42.86 -27.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.446 ' N ' ' C ' ' A' ' 29' ' ' ASP . 67.0 p -94.05 -155.89 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.425 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -87.26 152.12 52.25 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.688 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 57.7 Cg_endo -63.73 177.68 1.68 Allowed 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 -178.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.606 HG11 ' HB2' ' A' ' 26' ' ' MET . 12.2 m -117.64 -41.21 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HE2' ' HE1' ' A' ' 24' ' ' MET . 4.2 ptmt -151.29 154.41 36.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.455 ' NH2' ' C ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -165.55 134.52 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.53 -158.47 8.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.79 165.28 11.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 tt -163.68 176.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.233 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -112.01 -36.79 5.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.421 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 53.0 t -137.09 126.95 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.75 119.42 57.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 108.291 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 20.6 Cg_exo -63.03 172.67 4.67 Favored 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 164.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.42 127.16 32.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 46' ' ' SER . 45.3 t30 -75.28 165.86 24.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.404 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 7.6 p -124.33 -172.44 2.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 tp -97.8 -35.34 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -79.67 -6.9 58.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -145.38 165.97 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -132.43 125.93 31.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.431 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.5 m-85 -102.25 109.05 20.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 t -109.04 99.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 80.0 m -94.4 153.16 18.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.254 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.38 171.39 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.45 ' C ' HD21 ' A' ' 1' ' ' LEU . 11.5 p-10 -134.49 24.6 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.347 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 49.2 p -109.47 137.28 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.396 1.06 . . . . 0.0 110.455 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD1' ' HA ' ' A' ' 1' ' ' LEU . 13.7 m-20 -61.3 119.57 8.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 74.62 38.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 3.2 p -75.39 -41.43 56.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 108.281 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.471 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 40.2 p-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.771 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -108.17 116.93 32.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 m -113.53 148.25 36.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 108.24 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -99.26 165.84 11.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -93.45 -156.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.452 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 7.6 tt -50.18 -35.46 26.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 79.4 t -107.84 129.35 24.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -60.24 53.21 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 163.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 10' ' ' ALA . 6.0 tp -135.64 -49.5 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.444 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -104.28 132.61 50.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -151.06 154.6 37.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -133.48 -174.69 3.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.345 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.26 123.94 33.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.7 m -73.38 106.13 2.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 108.341 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -59.76 -176.2 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.089 3.073 . . . . 0.0 120.089 -168.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.15 123.66 14.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.27 -38.25 3.39 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -118.44 96.26 5.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 0.737 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.771 ' O ' HD13 ' A' ' 1' ' ' LEU . 27.3 t30 -113.51 22.64 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 96.2 mt -130.02 142.34 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 5.1 m -114.13 125.48 54.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 108.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.584 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 4.1 p90 -123.5 162.18 23.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.483 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 17.9 pttt -145.98 110.36 5.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -84.12 131.6 34.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.067 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 26.1 m-85 -115.72 121.44 42.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.798 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -87.0 152.76 22.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' A' ' 26' ' ' MET . 1.4 mmt 62.54 -67.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.0 t -146.17 156.52 43.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 109.961 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.448 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -101.64 -35.05 9.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.5 mt -40.73 -29.33 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.448 ' N ' ' C ' ' A' ' 29' ' ' ASP . 32.1 p -89.38 -152.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -103.67 139.33 20.0 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.516 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 58.1 Cg_endo -64.39 -167.04 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.106 3.079 . . . . 0.0 120.106 -164.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.798 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.3 m -118.64 -46.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.551 ' HE2' ' HE1' ' A' ' 24' ' ' MET . 15.1 ptmt -147.73 155.49 41.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -165.89 131.55 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.217 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.03 -153.85 6.41 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 3.9 m -107.33 164.24 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 tt -165.66 176.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -105.04 -33.25 8.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.427 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 2.6 p -143.99 144.86 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.371 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.42 116.43 28.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 0.0 108.294 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 31.5 Cg_exo -58.38 -163.7 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.198 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 169.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -67.93 -175.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.86 129.05 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.232 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.8 p -114.5 -177.02 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.943 HD22 ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -88.89 -19.25 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.538 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -83.43 -32.26 26.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 2.4 t -122.28 165.58 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.75 119.39 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.577 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 7.4 m-85 -96.9 89.17 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.407 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 1.6 t -84.83 99.63 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.1 m -94.39 153.07 18.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.383 1.052 . . . . 0.0 108.347 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.82 169.26 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -132.99 28.11 4.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.257 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 68.4 p -113.72 138.71 49.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -61.85 119.04 8.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 76.42 38.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.282 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.5 p -76.02 -42.61 47.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 108.348 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.483 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 41.5 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.345 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.879 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 3.4 mttp -107.0 113.3 26.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.6 m -107.94 149.13 28.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 108.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.74 165.58 11.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.465 ' HE3' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -86.63 -156.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.223 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tt -51.08 -38.88 54.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.707 HG12 HG22 ' A' ' 9' ' ' ILE . 39.0 t -103.35 132.8 20.74 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.8 Cg_exo -60.88 59.66 0.09 OUTLIER 'Trans proline' 0 CA--C 1.566 2.111 0 N-CA-C 120.09 3.073 . . . . 0.0 120.09 162.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.707 HG22 HG12 ' A' ' 7' ' ' VAL . 8.1 tp -137.66 -56.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.523 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -101.07 136.76 40.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -153.86 150.77 28.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.065 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 3.1 mmmt -131.01 -177.99 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.59 125.15 32.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.434 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -72.52 108.37 4.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.298 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -59.81 -174.81 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.198 0 N-CA-C 120.097 3.076 . . . . 0.0 120.097 -168.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -54.8 126.04 22.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.48 -38.38 3.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -117.87 104.35 10.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.749 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.879 ' O ' HD13 ' A' ' 1' ' ' LEU . 34.8 t30 -123.13 15.84 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 91.4 mt -121.91 143.8 49.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.46 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.8 m -112.72 142.37 45.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 108.313 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.6 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.1 p90 -142.37 159.63 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 7.3 pttt -145.89 113.89 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.6 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -89.96 131.51 35.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.67 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 76.0 m-85 -113.12 123.52 50.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.797 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -87.1 154.32 20.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.604 ' HG3' ' HE2' ' A' ' 26' ' ' MET . 0.2 OUTLIER 62.91 -66.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.552 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.2 m -152.78 153.7 33.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.22 -23.71 18.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.2 mt -47.13 -25.35 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.3 p -105.11 -178.6 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.458 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.65 149.0 97.85 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.67 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.6 Cg_endo -65.71 -177.16 0.67 Allowed 'Trans proline' 0 CA--C 1.567 2.126 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 -177.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.797 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.9 m -117.15 -45.97 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -145.27 153.17 41.01 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.14 132.75 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.76 -161.2 10.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 13.6 m -98.46 164.72 12.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 tt -165.59 177.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -114.14 -34.76 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.435 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 9.5 p -136.77 129.94 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.97 115.72 21.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 108.336 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 38.0 Cg_exo -57.7 179.09 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 170.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -75.41 128.86 36.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.491 HD22 ' N ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -75.3 158.51 32.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.491 ' N ' HD22 ' A' ' 45' ' ' ASN . 96.5 p -124.01 169.68 11.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.909 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.919 HD22 ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -90.39 -18.53 25.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.459 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -94.95 -20.28 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 3.3 t -132.44 157.73 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.22 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' MET . 12.7 tptt -122.05 122.25 38.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.541 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 7.5 m-85 -97.16 116.72 29.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.8 t -114.63 98.71 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 99.7 m -94.5 149.9 20.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.294 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.77 172.05 18.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 108.319 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.835 ' C ' HD21 ' A' ' 1' ' ' LEU . 31.7 p-10 -134.72 23.42 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.6 p -104.84 137.05 43.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 13.3 m-20 -62.2 118.99 8.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.17 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' HG3' ' C ' ' A' ' 57' ' ' ASP . 3.0 mtm180 75.01 37.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.3 p -75.81 -36.78 59.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.339 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 42.1 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.398 1.061 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.63 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -112.03 115.19 28.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -110.93 145.77 37.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.356 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.3 m-20 -96.84 172.21 8.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.456 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -93.82 -157.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HG ' ' NH2' ' A' ' 36' ' ' ARG . 2.2 tp -52.77 -29.43 27.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.6 t -111.74 129.82 23.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -60.55 48.53 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 163.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 10' ' ' ALA . 3.6 tp -129.62 -50.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.456 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -105.16 128.54 53.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.638 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 43.6 p90 -150.59 154.43 37.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -137.68 -176.83 4.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.613 1.196 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.93 127.8 34.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.394 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.1 m -74.04 106.37 2.47 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 108.333 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -60.64 -174.99 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 -167.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -55.33 120.17 6.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.42 -38.57 2.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 104.61 8.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.594 ' O ' HD13 ' A' ' 1' ' ' LEU . 13.3 t-20 -117.75 20.45 13.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 95.6 mt -127.91 144.92 51.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.46 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -114.31 140.49 48.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 108.337 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.545 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 3.1 p90 -137.24 163.61 30.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.17 115.53 7.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.656 ' HE2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -88.36 130.91 35.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.644 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 38.2 m-85 -117.2 117.18 28.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.689 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -86.72 155.25 20.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.37 -73.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.9 m -141.34 150.14 42.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.409 1.068 . . . . 0.0 110.048 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.431 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -99.58 -21.35 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.8 mt -44.14 -26.91 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.431 ' N ' ' C ' ' A' ' 29' ' ' ASP . 44.2 p -107.83 -176.21 3.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 110.361 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.84 145.45 97.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.644 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.0 Cg_endo -65.31 -169.09 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.111 3.081 . . . . 0.0 120.111 -175.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.689 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.8 m -115.12 -42.47 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -147.88 158.82 44.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.421 ' NH2' ' HG ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -165.59 133.96 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.71 -153.66 6.65 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 4.0 m -110.42 164.79 12.34 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.8 tt -164.44 175.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.489 1.118 . . . . 0.0 109.23 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -107.01 -40.68 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.229 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.44 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 9.8 p -135.34 137.09 50.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.17 115.19 17.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.272 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 21.1 Cg_exo -63.01 -165.72 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.071 3.066 . . . . 0.0 120.071 170.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -74.54 -175.17 2.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -163.57 135.08 4.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.7 p -105.03 -173.68 2.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.929 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.408 ' N ' HD23 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -88.97 -17.64 29.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -84.63 -28.24 26.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.235 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 2.1 t -123.85 167.69 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' H ' HG12 ' A' ' 49' ' ' VAL . 4.0 tptp -137.87 112.52 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.656 ' CE2' ' HE2' ' A' ' 24' ' ' MET . 4.7 m-85 -89.99 99.64 12.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -99.9 102.44 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.0 m -94.1 153.52 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.269 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -154.55 171.71 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 108.292 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.63 ' C ' HD21 ' A' ' 1' ' ' LEU . 18.4 p-10 -136.29 20.58 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.46 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 34.2 p -104.43 136.72 43.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 11.4 m-20 -62.07 117.87 6.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.638 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 27.1 mtp180 78.63 36.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.2 p -76.07 -37.57 58.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 38.3 p-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 13' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.69 112.25 24.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.6 m -108.32 143.68 36.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 108.237 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -97.89 174.59 6.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -94.35 -160.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -49.84 -37.65 31.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.691 HG12 HG22 ' A' ' 9' ' ' ILE . 56.1 t -102.77 131.18 22.54 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.55 57.31 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.18 3.108 . . . . 0.0 120.18 163.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.691 HG22 HG12 ' A' ' 7' ' ' VAL . 8.7 tp -136.48 -56.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -100.92 132.83 46.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.422 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 40.4 p90 -151.37 152.28 32.9 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.13 -175.31 3.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -88.91 128.31 35.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.3 m -74.38 114.79 37.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.337 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -60.99 -179.89 0.33 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.129 3.088 . . . . 0.0 120.129 -173.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.0 122.04 12.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.92 -39.3 2.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.394 1.059 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.39 105.3 10.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -116.25 15.38 15.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 40' ' ' ASP . 18.8 mt -122.44 142.96 50.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.7 m -114.81 134.84 54.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 108.318 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.4 p90 -135.42 161.54 35.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' O ' ' CE1' ' A' ' 25' ' ' PHE . 7.4 pttt -145.76 119.5 9.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.57 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -94.53 130.04 41.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.655 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 16.3 m-85 -117.03 128.87 55.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.67 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -84.78 157.47 20.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.566 ' O ' ' CB ' ' A' ' 28' ' ' SER . 3.9 mmm 29.84 71.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 27' ' ' MET . 2.1 t 90.33 151.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.932 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.494 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -110.23 -34.02 6.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' ASP . 48.5 mt -39.8 -29.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.447 ' N ' ' C ' ' A' ' 29' ' ' ASP . 47.5 p -78.14 -161.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.42 HG23 ' HD2' ' A' ' 33' ' ' PRO . 1.1 mp -96.35 146.2 30.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.655 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 57.3 Cg_endo -63.55 162.58 27.19 Favored 'Trans proline' 0 CA--C 1.567 2.14 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -171.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.67 HG11 ' HB2' ' A' ' 26' ' ' MET . 6.8 m -105.88 -39.53 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.087 . . . . 0.0 109.255 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.34 150.15 26.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -156.37 169.0 25.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.411 ' HA2' ' NH1' ' A' ' 36' ' ' ARG . . . 172.97 -169.08 42.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 6.1 m -96.9 165.77 11.94 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 tt -165.26 174.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.653 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.3 p-10 -108.95 -41.11 4.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 7.3 p -134.0 129.34 54.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.6 1.187 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.8 t -64.17 118.83 50.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.382 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 21.0 Cg_exo -62.71 171.82 5.34 Favored 'Trans proline' 0 CA--C 1.567 2.145 0 N-CA-C 120.066 3.064 . . . . 0.0 120.066 165.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -75.11 125.89 29.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 46' ' ' SER . 39.7 t30 -75.37 165.33 25.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.454 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 95.5 p -119.98 -174.29 2.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.23 -23.11 17.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.93 -41.19 16.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 2.6 t -114.06 164.51 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 109.222 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.37 119.23 25.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.8 m-85 -92.05 110.9 22.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.169 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 11.7 t -110.52 100.38 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.0 m -98.29 152.03 19.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 108.213 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.55 169.64 23.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -131.53 27.13 4.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.375 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.524 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.5 p -112.23 141.3 46.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.142 . . . . 0.0 110.352 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' OD1' ' HA ' ' A' ' 1' ' ' LEU . 21.0 m-20 -63.89 126.74 28.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' HG3' ' C ' ' A' ' 57' ' ' ASP . 13.1 mtm180 67.29 35.54 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 56' ' ' THR . 6.2 p -75.99 -26.31 56.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.3 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 52.7 p30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 109.317 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.734 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -102.44 116.5 32.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 m -112.8 143.98 43.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 108.342 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -99.09 161.09 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.43 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -85.39 -164.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.592 HD11 ' O ' ' A' ' 34' ' ' VAL . 6.5 tp -48.95 -29.17 4.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.2 t -109.96 128.14 25.89 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -60.26 56.45 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.079 3.069 . . . . 0.0 120.079 163.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.699 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -140.49 -46.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.408 ' O ' ' HD2' ' A' ' 5' ' ' LYS . . . -105.13 133.59 49.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -155.84 151.95 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -136.61 -177.18 4.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.91 119.68 25.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.5 m -66.13 104.88 0.66 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 108.28 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -60.1 -175.52 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.197 0 N-CA-C 120.113 3.082 . . . . 0.0 120.113 -166.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -54.88 126.5 24.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.269 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.13 -42.67 1.88 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.415 1.072 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -118.0 104.61 11.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.69 ' O ' HD13 ' A' ' 1' ' ' LEU . 40.3 t30 -122.4 22.72 9.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.0 mt -127.83 125.31 39.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.6 m -96.5 133.77 40.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.557 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 2.4 p90 -133.4 164.62 26.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.615 1.197 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.14 122.38 10.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.821 ' HE2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -91.86 127.46 37.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.673 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 79.1 m-85 -112.82 115.54 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.938 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.795 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -85.66 157.95 20.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.055 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.4 mmm 57.88 -79.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.7 m -143.6 133.54 24.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -73.68 -24.41 59.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.9 mt -43.3 -27.62 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.108 . . . . 0.0 109.217 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 29' ' ' ASP . 69.4 p -106.33 177.3 4.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.447 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.59 150.69 24.34 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.673 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 58.9 Cg_endo -64.93 -176.83 0.49 Allowed 'Trans proline' 0 CA--C 1.567 2.144 0 N-CA-C 120.107 3.08 . . . . 0.0 120.107 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.795 HG11 ' HB2' ' A' ' 26' ' ' MET . 5.4 m -119.63 -42.84 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.03 157.34 43.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' NE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -167.42 139.23 3.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.54 -166.71 23.92 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.394 1.059 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -95.29 166.03 12.1 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.5 tt -165.35 176.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -113.42 -36.77 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.43 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 7.5 p -133.84 130.35 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -67.44 119.79 68.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 108.298 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.43 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 16.3 Cg_exo -65.34 161.94 35.7 Favored 'Trans proline' 0 CA--C 1.567 2.174 0 N-CA-C 120.125 3.087 . . . . 0.0 120.125 164.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -75.32 127.41 33.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.443 ' ND2' ' HA ' ' A' ' 50' ' ' LYS . 47.7 t30 -75.11 166.3 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.584 ' C ' HD13 ' A' ' 47' ' ' LEU . 78.3 p -119.74 -174.17 2.69 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.413 1.071 . . . . 0.0 110.001 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.796 HD13 ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -94.12 -6.74 44.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -106.37 -14.67 15.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.9 t -135.29 168.15 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -138.57 107.57 6.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.821 ' CE2' ' HE2' ' A' ' 24' ' ' MET . 4.4 m-85 -84.48 131.97 34.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 4.4 t -127.53 98.89 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 84.5 m -94.01 149.1 21.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.264 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -154.71 170.73 20.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 0.0 108.345 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.734 ' C ' HD21 ' A' ' 1' ' ' LEU . 5.6 p30 -133.08 22.99 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 11.8 p -105.7 137.71 43.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' C ' ' CG ' ' A' ' 58' ' ' ARG . 18.7 m-20 -61.73 119.8 9.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.423 ' CG ' ' C ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER 73.52 37.7 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 110.225 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' THR . 4.3 p -75.77 -32.53 59.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 108.327 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.425 ' ND2' ' HD3' ' A' ' 36' ' ' ARG . 40.9 p-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.662 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 13.6 mttt -110.81 113.78 26.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 m -111.58 147.57 35.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.348 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.425 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -98.89 175.34 5.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -92.96 -162.15 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.723 HD23 HG23 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -49.96 -32.42 14.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.723 HG23 HD23 ' A' ' 6' ' ' LEU . 39.2 t -107.83 132.15 21.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -61.95 60.99 0.12 Allowed 'Trans proline' 0 CA--C 1.568 2.215 0 N-CA-C 120.117 3.083 . . . . 0.0 120.117 162.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -140.4 -48.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -109.51 133.02 53.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.454 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 43.3 p90 -154.14 148.08 25.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 11.5 mmmt -132.35 -173.21 3.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.68 129.82 34.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.4 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.6 m -71.82 111.59 11.07 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.499 1.124 . . . . 0.0 108.234 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -61.68 -174.92 0.14 Allowed 'Trans proline' 0 CA--C 1.567 2.173 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 -172.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.19 116.22 3.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.31 -39.45 2.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -120.92 111.78 17.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.245 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.495 ' O ' HD13 ' A' ' 1' ' ' LEU . 13.8 t-20 -115.35 -14.96 11.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.435 1.085 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 22.8 mt -101.04 158.61 15.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.451 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -121.07 148.96 43.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 108.339 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.449 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 21.4 p90 -145.42 159.28 43.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HD3' ' CB ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -145.98 116.32 7.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.549 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -91.23 132.1 36.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.644 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 82.0 m-85 -116.16 118.97 34.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.671 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -84.62 155.93 21.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.19 -78.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.4 m -132.85 151.02 52.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.956 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -100.47 -21.66 15.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 mt -44.54 -26.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.409 ' N ' ' C ' ' A' ' 29' ' ' ASP . 62.6 p -106.22 -178.19 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.92 151.77 53.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.644 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.0 Cg_endo -64.63 -174.0 0.26 Allowed 'Trans proline' 0 CA--C 1.567 2.16 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.671 HG11 ' HB2' ' A' ' 26' ' ' MET . 4.6 m -119.69 -42.35 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -149.82 157.27 43.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.27 171.75 11.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.423 ' HA2' ' NH1' ' A' ' 36' ' ' ARG . . . 165.92 -166.63 38.75 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -99.27 154.43 18.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 tt -154.4 178.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -114.43 -39.63 3.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.42 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 55.3 t -131.98 127.71 58.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.47 119.17 54.46 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 108.244 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 21.9 Cg_exo -62.09 168.15 9.59 Favored 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.119 3.084 . . . . 0.0 120.119 164.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -74.14 125.29 28.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.23 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 46' ' ' SER . 38.4 t30 -75.5 164.51 26.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.454 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 85.0 p -126.26 -178.45 4.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.818 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -90.55 -24.41 20.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.818 HD22 HD23 ' A' ' 47' ' ' LEU . 3.7 mm? -81.1 -34.91 32.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.634 HG22 ' HG2' ' A' ' 26' ' ' MET . 21.9 t -124.21 162.77 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' N ' HG12 ' A' ' 49' ' ' VAL . 12.6 tttt -125.85 117.51 23.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.549 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.8 m-85 -92.41 118.51 31.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.5 t -118.26 99.08 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 79.7 m -94.0 151.95 19.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.17 172.07 18.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 108.292 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.662 ' C ' HD21 ' A' ' 1' ' ' LEU . 36.2 p-10 -135.45 21.36 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.482 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 56.8 p -105.81 138.57 41.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 1' ' ' LEU . 22.7 m-20 -62.69 121.22 12.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.454 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 19.7 mtp180 73.83 37.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 56' ' ' THR . 2.8 p -75.72 -34.71 60.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 108.315 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 45.0 p30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 19' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -103.78 106.95 17.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -104.34 147.36 27.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.253 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.81 168.57 10.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.508 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -91.55 -157.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.412 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 4.0 tt -49.71 -38.06 31.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 42.6 t -103.87 132.34 21.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.6 Cg_exo -61.03 56.61 0.1 OUTLIER 'Trans proline' 0 CA--C 1.567 2.161 0 N-CA-C 120.189 3.111 . . . . 0.0 120.189 162.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.628 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -141.85 -47.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.508 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -103.77 126.06 50.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -144.98 155.93 43.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 111.06 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.92 -177.48 4.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.84 122.04 29.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.8 m -71.33 108.45 3.87 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 108.246 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -59.43 -175.78 0.1 OUTLIER 'Trans proline' 0 CA--C 1.568 2.214 0 N-CA-C 120.129 3.088 . . . . 0.0 120.129 -168.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -55.43 126.35 24.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.23 -44.22 1.55 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -112.28 98.9 7.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 0.731 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.518 ' O ' HD12 ' A' ' 1' ' ' LEU . 29.4 t30 -114.61 30.42 7.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 40' ' ' ASP . 44.1 mt -139.07 146.74 41.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.494 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.4 m -115.81 136.59 52.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.334 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.601 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.4 p90 -135.3 161.23 36.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 1.9 pttt -145.76 115.46 7.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.601 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.3 mpp? -92.53 131.75 37.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.666 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 52.4 m-85 -115.85 125.32 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.662 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -83.55 153.59 24.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.0 mmm 61.93 -66.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -145.35 160.09 42.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -102.15 -32.55 10.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mt -45.57 -26.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.424 ' N ' ' C ' ' A' ' 29' ' ' ASP . 62.5 p -89.65 -156.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -94.09 148.21 34.77 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.666 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 58.0 Cg_endo -64.31 175.24 3.48 Favored 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -174.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.662 HG11 ' HB2' ' A' ' 26' ' ' MET . 12.1 m -118.55 -43.88 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 2.0 tptt -147.36 145.98 29.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.367 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -160.31 140.39 11.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.14 . . . . 0.0 110.243 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.4 -156.15 8.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 3.8 m -105.31 165.59 11.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 tt -165.65 175.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.498 ' O ' HD12 ' A' ' 20' ' ' LEU . 12.5 p-10 -111.49 -39.87 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.433 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 8.5 p -134.3 128.43 52.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 t -64.41 118.71 49.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 108.351 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 18.9 Cg_exo -63.53 173.04 4.78 Favored 'Trans proline' 0 CA--C 1.569 2.242 0 N-CA-C 120.11 3.081 . . . . 0.0 120.11 165.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -75.21 127.33 32.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -74.72 165.62 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.9 p -115.92 -172.58 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.939 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.87 -28.52 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.14 -38.09 19.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 50' ' ' LYS . 3.8 t -106.29 168.22 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' H ' HG12 ' A' ' 49' ' ' VAL . 8.0 tptt -133.3 113.41 12.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.58 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.3 m-85 -88.74 115.19 26.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 111.066 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.0 t -116.44 98.72 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.1 m -94.06 153.29 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.314 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.5 171.48 19.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -136.1 27.97 3.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 76.3 p -112.81 138.26 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -61.72 119.93 9.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 73.83 39.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 2.3 p -76.14 -37.32 58.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.453 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 40.2 p-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.874 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -99.96 111.04 23.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.2 m -104.31 151.21 23.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 108.328 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -101.33 160.6 14.28 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.536 ' HD2' ' HB3' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -86.49 -160.68 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.45 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -50.66 -31.91 17.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.342 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.497 HG12 HG22 ' A' ' 9' ' ' ILE . 50.1 t -108.95 131.14 21.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.387 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.441 ' HG3' ' NH2' ' A' ' 36' ' ' ARG . 24.3 Cg_exo -60.44 47.88 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.195 0 N-CA-C 120.097 3.076 . . . . 0.0 120.097 163.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.497 HG22 HG12 ' A' ' 7' ' ' VAL . 9.8 tp -131.07 -48.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.536 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . . . -103.67 132.07 50.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -155.14 147.8 24.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.92 179.43 6.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.31 122.47 28.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.5 m -69.21 108.97 3.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 108.325 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -61.01 -174.54 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.165 3.102 . . . . 0.0 120.165 -171.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -54.63 124.79 17.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.55 -39.27 2.89 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -128.22 106.46 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.797 . . . . 0.0 109.284 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.874 ' O ' HD13 ' A' ' 1' ' ' LEU . 41.8 t30 -120.06 15.4 12.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 40' ' ' ASP . 27.6 mt -120.83 147.32 45.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.471 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 m -115.97 143.37 45.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.55 1.157 . . . . 0.0 108.347 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.611 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.0 p90 -142.84 157.67 44.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.458 1.099 . . . . 0.0 111.04 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.51 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -142.88 116.14 8.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.593 1.183 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.611 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -91.73 135.27 34.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.646 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 27.2 m-85 -117.55 119.49 35.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.639 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.9 tmm? -83.74 153.86 23.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mmt 61.28 -73.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.4 m -139.49 154.11 47.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.548 1.155 . . . . 0.0 109.951 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -101.41 -22.11 14.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.5 mt -44.76 -26.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.404 ' N ' ' C ' ' A' ' 29' ' ' ASP . 55.0 p -105.85 -177.54 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -65.18 147.47 98.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.646 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.1 Cg_endo -65.37 -173.0 0.26 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 -175.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.639 HG11 ' HB2' ' A' ' 26' ' ' MET . 3.8 m -115.68 -43.8 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.03 154.47 42.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -165.82 128.98 2.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.27 -156.28 7.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.565 1.166 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 4.2 m -105.37 165.29 11.23 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 tt -165.3 176.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 109.356 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.547 ' O ' HD12 ' A' ' 20' ' ' LEU . 13.7 t70 -112.09 -40.73 4.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.43 HG23 ' OD1' ' A' ' 40' ' ' ASP . 53.5 t -135.08 129.51 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.416 1.073 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -67.79 119.66 68.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.329 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 18.1 Cg_exo -63.73 176.86 2.06 Favored 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 164.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 128.04 34.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 46' ' ' SER . 44.5 t30 -75.86 166.22 23.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.425 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 89.4 p -124.92 177.36 6.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.05 -22.27 20.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -84.86 -27.0 27.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 50' ' ' LYS . 19.2 t -129.05 166.91 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.462 ' N ' HG12 ' A' ' 49' ' ' VAL . 24.5 tptt -128.14 116.48 20.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.405 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.9 m-85 -91.27 108.1 19.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.421 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 14.8 t -107.69 97.38 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 91.0 m -95.81 148.93 22.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 108.239 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -154.19 172.85 16.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 108.246 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.615 ' C ' HD21 ' A' ' 1' ' ' LEU . 3.8 p30 -134.15 22.07 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.514 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 9.7 p -103.98 139.63 38.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 14.1 m-20 -63.35 124.31 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' HG3' ' C ' ' A' ' 57' ' ' ASP . 29.2 mtp180 69.17 36.17 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 56' ' ' THR . 5.0 p -76.12 -27.31 57.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 108.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.437 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 44.7 p-10 . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.729 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -103.84 113.3 26.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 m -110.52 144.9 38.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 108.273 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -97.97 169.72 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.7 -156.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 tp -50.86 -37.29 42.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.56 HG12 HG22 ' A' ' 9' ' ' ILE . 42.6 t -105.76 129.57 24.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.63 55.33 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.167 0 N-CA-C 120.183 3.109 . . . . 0.0 120.183 163.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.56 HG22 HG12 ' A' ' 7' ' ' VAL . 7.2 tp -134.87 -47.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -110.34 131.43 55.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.481 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 35.6 p90 -147.4 157.22 43.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.09 -178.36 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.3 121.99 28.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.7 m -69.5 106.05 1.36 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -59.59 -174.83 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.204 0 N-CA-C 120.067 3.064 . . . . 0.0 120.067 -165.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -54.81 124.38 16.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.49 -40.6 2.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -115.68 107.92 15.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 0.721 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.729 ' O ' HD13 ' A' ' 1' ' ' LEU . 54.1 t30 -121.96 15.49 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.249 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 40' ' ' ASP . 54.4 mt -121.4 143.22 49.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -115.75 131.84 56.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.241 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.6 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 4.3 p90 -131.12 162.15 30.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -145.9 114.64 6.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.6 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -90.41 129.02 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 111.026 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.682 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 82.4 m-85 -112.44 121.78 45.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 110.965 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.732 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -84.19 153.09 23.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.988 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.89 -67.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.052 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -148.4 159.03 44.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -100.19 -34.7 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.5 mt -42.98 -27.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.436 ' N ' ' C ' ' A' ' 29' ' ' ASP . 55.9 p -89.99 -154.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.465 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -98.03 145.46 29.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.682 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 56.4 Cg_endo -63.12 -173.1 0.15 Allowed 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -171.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.732 HG11 ' HB2' ' A' ' 26' ' ' MET . 4.7 m -126.36 -43.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -148.45 150.43 33.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.428 1.08 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.74 131.72 2.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 110.269 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.36 -152.08 5.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 4.6 m -108.37 164.76 12.04 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 tt -165.36 175.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.58 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.5 p-10 -109.05 -39.25 5.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.413 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 58.1 t -135.08 128.99 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.09 119.49 56.01 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 108.339 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 23.0 Cg_exo -61.37 171.5 4.17 Favored 'Trans proline' 0 CA--C 1.567 2.151 0 N-CA-C 120.101 3.077 . . . . 0.0 120.101 164.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -75.14 126.42 30.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 46' ' ' SER . 40.9 t30 -75.41 165.44 25.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.423 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 86.8 p -127.29 -179.55 4.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.024 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.9 -21.13 20.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.407 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -86.37 -27.1 24.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 14.5 t -131.19 160.32 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -122.16 117.68 26.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.55 ' CE2' ' HE3' ' A' ' 24' ' ' MET . 6.3 m-85 -93.85 106.08 18.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.074 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.23 99.34 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 88.8 m -94.32 154.89 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.346 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.42 173.35 16.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.487 ' O ' HD11 ' A' ' 1' ' ' LEU . 6.0 p30 -135.91 20.31 3.26 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.494 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 41.6 p -105.08 140.35 38.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 1.146 . . . . 0.0 110.351 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -62.7 123.39 18.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.481 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 21.0 mtp180 70.52 38.54 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.263 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.9 p -76.43 -38.66 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 108.266 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.457 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 35.4 p-10 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -103.54 119.04 38.12 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -117.01 149.08 40.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 108.297 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -95.33 158.83 15.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.564 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -87.19 -156.82 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.495 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 6.3 tp -50.66 -30.61 14.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.5 HG12 HG22 ' A' ' 9' ' ' ILE . 77.5 t -111.18 132.32 21.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -60.51 55.05 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.082 3.07 . . . . 0.0 120.082 162.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.5 HG22 HG12 ' A' ' 7' ' ' VAL . 6.5 tp -143.08 -51.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.564 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -97.94 126.69 43.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.221 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -146.77 152.74 39.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -136.1 -176.94 4.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -85.32 119.23 25.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.8 m -67.65 104.61 0.69 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 108.259 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -58.26 -174.88 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.193 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -167.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -54.92 125.95 22.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.89 -40.05 2.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.088 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -116.41 99.11 6.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.41 ' O ' HD13 ' A' ' 1' ' ' LEU . 50.8 t30 -118.44 23.97 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 50.6 mt -129.22 140.74 51.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.462 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.7 m -112.5 129.93 56.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.351 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 3.5 p90 -128.07 166.64 18.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -145.96 120.88 9.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.585 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 36.3 mtm -89.38 127.48 35.82 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.632 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 55.3 m-85 -113.2 112.8 24.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.698 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.1 tmm? -85.02 156.82 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.23 -80.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.154 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.9 m -140.01 133.78 30.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -76.57 -25.81 54.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.5 mt -42.28 -28.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 29' ' ' ASP . 80.5 p -105.72 173.38 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.93 149.19 18.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.632 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 60.2 Cg_endo -65.54 -172.04 0.23 Allowed 'Trans proline' 0 CA--C 1.567 2.158 0 N-CA-C 120.112 3.082 . . . . 0.0 120.112 -177.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.698 HG11 ' HB2' ' A' ' 26' ' ' MET . 15.6 m -123.06 -41.8 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.28 155.87 43.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.495 ' CZ ' ' O ' ' A' ' 6' ' ' LEU . 4.0 ptp180 -167.08 134.28 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.365 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.43 -159.15 9.86 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.449 1.093 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 4.0 m -105.12 165.66 10.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 tt -165.57 175.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -111.98 -35.71 5.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.42 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 56.5 t -135.62 128.71 47.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.68 119.31 56.29 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 108.317 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 17.0 Cg_exo -64.5 161.77 33.7 Favored 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.06 3.061 . . . . 0.0 120.06 164.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.19 125.54 29.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.454 ' ND2' ' HA ' ' A' ' 50' ' ' LYS . 45.0 t30 -75.86 165.2 25.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.6 p -114.35 -176.44 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -92.08 -2.2 56.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.452 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -108.93 -22.28 12.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 50' ' ' LYS . 19.5 t -127.46 167.0 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.469 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -136.92 108.32 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.8 m-85 -84.6 135.76 34.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 11.1 t -129.39 97.14 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.2 m -93.94 151.79 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.76 170.98 20.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 108.356 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -131.07 26.04 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 73.1 p -111.85 138.38 48.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 110.388 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 1' ' ' LEU . 13.5 m-20 -61.32 120.14 9.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 72.94 40.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.322 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 2.9 p -75.72 -35.95 60.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 108.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 42.1 p-10 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.523 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -110.69 114.18 27.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.407 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 5.5 m -109.59 146.96 33.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 108.297 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -106.39 163.82 12.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.418 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -87.46 -159.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.362 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tt -50.0 -33.03 16.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.1 t -113.69 127.53 26.72 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -60.15 41.07 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.137 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 164.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.866 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -115.89 -33.02 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.418 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -128.38 132.76 48.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -152.57 155.61 37.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.69 -173.74 3.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -86.24 124.03 32.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.407 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.407 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 91.8 m -68.5 104.1 0.64 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 108.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -58.88 -175.08 0.08 OUTLIER 'Trans proline' 0 CA--C 1.569 2.238 0 N-CA-C 120.085 3.071 . . . . 0.0 120.085 -164.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -55.1 125.34 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.72 -38.76 3.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -114.88 106.24 13.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.523 ' O ' HD13 ' A' ' 1' ' ' LEU . 56.3 t30 -120.42 10.9 11.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 87.3 mt -118.45 141.52 48.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.441 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -115.22 126.82 55.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.603 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 7.8 p90 -122.74 163.47 20.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -146.05 113.76 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.2 mpp? -89.99 129.25 36.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.672 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 46.2 m-85 -112.44 121.81 45.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.682 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.5 tmm? -84.38 154.8 22.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 62.05 -69.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.6 m -150.04 150.44 31.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.056 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.3 OUTLIER -94.65 -22.18 18.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.9 mt -45.68 -26.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 29' ' ' ASP . 71.8 p -101.62 -157.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.19 148.14 46.74 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.672 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 58.2 Cg_endo -64.66 -173.52 0.24 Allowed 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 -175.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' A' ' 26' ' ' MET . 4.8 m -122.01 -43.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -149.07 153.11 37.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.437 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -165.89 134.79 3.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.51 -158.65 8.79 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 6.6 m -102.4 163.49 12.2 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 tt -163.49 174.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.23 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -110.62 -35.9 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.431 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 55.4 t -137.11 127.55 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.97 117.72 38.76 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 0.0 108.343 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 22.0 Cg_exo -62.37 171.87 4.92 Favored 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.119 3.084 . . . . 0.0 120.119 166.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -75.35 126.64 31.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 46' ' ' SER . 38.9 t30 -75.39 165.04 25.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.546 ' C ' HD13 ' A' ' 47' ' ' LEU . 86.2 p -123.4 178.88 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.816 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -90.65 -16.42 28.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.369 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -91.42 -32.1 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.463 HG22 ' HG2' ' A' ' 26' ' ' MET . 21.0 t -123.77 165.62 20.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.609 1.193 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 49' ' ' VAL . 9.5 tptt -127.2 113.61 16.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.9 m-85 -89.29 103.12 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.17 101.5 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 84.2 m -94.08 152.98 18.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 108.263 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.47 167.92 28.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.473 ' C ' HD21 ' A' ' 1' ' ' LEU . 18.4 p-10 -130.56 24.16 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 11.2 p -106.55 136.5 46.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 15.8 m-20 -62.21 118.86 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER 77.24 35.26 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 56' ' ' THR . 4.7 p -75.83 -36.77 59.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.168 . . . . 0.0 108.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 55.0 p30 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -107.24 111.86 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 m -110.81 147.13 35.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -99.84 163.31 12.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -87.81 -162.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tt -49.42 -25.92 2.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.513 HG12 HG22 ' A' ' 9' ' ' ILE . 78.1 t -113.77 126.58 27.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.67 48.62 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.155 0 N-CA-C 120.109 3.08 . . . . 0.0 120.109 163.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.513 HG22 HG12 ' A' ' 7' ' ' VAL . 6.8 tp -131.65 -46.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.452 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -108.85 129.36 55.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -149.35 152.12 35.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -134.73 -173.73 3.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.78 124.48 31.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.8 m -68.38 107.32 1.86 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 108.274 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -59.41 -174.78 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.223 0 N-CA-C 120.074 3.067 . . . . 0.0 120.074 -165.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.5 128.91 34.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.83 -38.67 3.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.15 106.72 15.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.418 ' O ' HD13 ' A' ' 1' ' ' LEU . 12.5 t-20 -123.15 15.14 9.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 91.4 mt -122.59 142.71 50.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.446 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -112.05 136.33 51.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 108.29 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.603 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 2.6 p90 -135.45 160.24 39.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 22.5 pttt -145.89 113.33 6.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.9 mpp? -88.82 134.66 33.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.614 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 32.1 m-85 -118.35 120.14 36.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.08 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.727 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.1 tmm? -87.2 154.47 20.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.2 mtt 61.39 -72.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.7 m -145.63 144.91 30.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -91.04 -21.71 21.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.087 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.7 mt -43.47 -27.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.422 ' N ' ' C ' ' A' ' 29' ' ' ASP . 43.3 p -108.17 -178.68 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 110.463 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.52 143.25 98.56 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.234 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.614 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.3 Cg_endo -65.26 -166.3 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.146 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -171.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.727 HG11 ' HB2' ' A' ' 26' ' ' MET . 3.1 m -117.68 -45.34 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.083 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -147.62 153.3 39.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.431 ' HD3' ' ND2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -166.22 131.88 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.8 -153.9 6.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 6.7 m -106.12 165.77 10.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 tt -165.4 174.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -109.95 -34.68 6.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.418 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 65.9 t -141.38 128.2 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.92 119.95 62.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 108.346 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 20.7 Cg_exo -62.73 174.56 2.84 Favored 'Trans proline' 0 CA--C 1.568 2.205 0 N-CA-C 120.13 3.088 . . . . 0.0 120.13 164.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.55 128.52 35.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 46' ' ' SER . 40.9 t30 -75.68 165.66 24.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 79.4 p -123.25 178.13 5.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -23.21 20.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -86.74 -26.82 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.609 HG22 ' HG2' ' A' ' 26' ' ' MET . 25.1 t -126.53 163.43 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 49' ' ' VAL . 2.7 tttt -127.02 114.97 18.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.562 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.5 m-85 -90.71 110.02 21.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.405 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 2.5 t -109.88 96.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 87.1 m -94.66 152.81 18.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 108.305 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -155.34 170.56 21.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 108.334 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 -133.02 30.18 4.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.491 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.3 p -114.53 140.44 48.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' OD1' ' HA ' ' A' ' 1' ' ' LEU . 21.3 m-20 -62.6 122.64 16.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 69.45 37.89 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.223 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 56' ' ' THR . 5.0 p -75.63 -37.31 59.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.303 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.457 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 39.4 p-10 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.919 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -105.48 105.58 15.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 m -100.93 146.99 26.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 108.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.6 OUTLIER -100.14 172.2 7.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.499 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 3.9 mttp -92.17 -158.26 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 tp -49.74 -38.56 34.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.9 t -106.27 133.57 20.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.68 58.93 0.12 Allowed 'Trans proline' 0 CA--C 1.569 2.227 0 N-CA-C 120.086 3.072 . . . . 0.0 120.086 162.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.812 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -133.84 -44.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.62 141.67 47.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -154.17 153.93 32.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.68 178.83 6.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.76 119.37 25.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.9 m -70.4 105.81 1.39 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.185 . . . . 0.0 108.324 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -59.89 -174.85 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.157 0 N-CA-C 120.146 3.095 . . . . 0.0 120.146 -168.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -54.94 128.31 32.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 110.23 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.06 -42.65 1.84 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -116.71 98.21 6.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.919 ' O ' HD13 ' A' ' 1' ' ' LEU . 26.1 t30 -115.58 18.32 15.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.4 mt -122.67 144.68 48.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.451 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -116.07 139.77 49.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 108.286 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.532 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 3.1 p90 -140.9 163.05 33.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -145.51 124.58 12.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.22 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.54 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -92.42 130.13 38.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.69 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.0 m-85 -115.4 118.23 32.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.729 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -86.5 156.54 20.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.3 mtp 57.3 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.6 m -138.17 143.19 40.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.077 . . . . 0.0 110.012 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -89.45 -23.33 22.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.3 mt -43.16 -27.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.243 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.416 ' N ' ' C ' ' A' ' 29' ' ' ASP . 69.0 p -107.1 177.32 4.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.557 1.161 . . . . 0.0 110.436 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.8 149.14 23.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.69 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.0 Cg_endo -65.16 -172.36 0.22 Allowed 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.729 HG11 ' HB2' ' A' ' 26' ' ' MET . 3.6 m -119.56 -44.47 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -149.43 162.06 40.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.507 ' CZ ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.19 163.68 17.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.351 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.405 ' HA2' ' NH1' ' A' ' 36' ' ' ARG . . . 175.98 -171.92 44.94 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.415 1.072 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -94.8 165.69 12.35 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 tt -165.47 174.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -112.52 -31.67 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.425 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 77.8 t -139.41 127.8 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 t -64.66 119.09 54.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 21.3 Cg_exo -62.37 169.07 8.57 Favored 'Trans proline' 0 CA--C 1.567 2.15 0 N-CA-C 120.153 3.097 . . . . 0.0 120.153 165.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -74.28 125.04 27.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -75.57 165.73 24.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.219 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 p -122.99 -167.55 1.61 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 109.911 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.5 -36.76 9.08 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -78.93 -7.87 58.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 t -142.44 163.4 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.241 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -133.01 123.25 25.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.54 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.7 m-85 -99.01 121.81 41.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 t -119.49 98.62 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.4 m -94.29 150.07 20.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 108.329 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.96 171.21 20.08 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.124 . . . . 0.0 108.336 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.745 ' C ' HD21 ' A' ' 1' ' ' LEU . 2.5 p30 -133.92 24.58 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.493 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.2 p -107.01 138.63 42.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.364 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -62.71 120.68 11.7 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mtm-85 74.0 36.33 0.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 56' ' ' THR . 4.4 p -76.36 -32.73 58.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 108.341 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.417 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 37.6 p-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.705 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 14.0 mtmm -106.95 120.61 42.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.6 m -112.37 152.98 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.421 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 3.0 m-20 -101.96 168.03 9.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.529 ' HD2' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -93.27 -160.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.514 HD21 ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -51.35 -35.88 40.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.699 HG12 HG22 ' A' ' 9' ' ' ILE . 68.2 t -104.08 131.08 22.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -59.94 52.77 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.199 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 163.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.699 HG22 HG12 ' A' ' 7' ' ' VAL . 4.0 tp -137.71 -46.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.529 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . . . -103.72 130.7 51.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.421 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 48.2 p90 -155.49 144.52 20.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -134.62 -171.44 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.66 128.88 34.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.389 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.3 m -64.99 117.24 37.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -59.26 -174.92 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.134 3.09 . . . . 0.0 120.134 -169.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -55.15 112.02 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.256 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.44 -38.44 3.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.0 mttt -105.19 110.75 23.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -118.36 -25.63 6.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.436 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 6.2 mt -94.23 151.86 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.458 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -115.36 149.21 38.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 108.259 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.584 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 2.9 p90 -145.33 160.19 41.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HB3' ' CB ' ' A' ' 36' ' ' ARG . 3.4 pttt -145.94 116.21 7.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.064 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -92.28 131.51 37.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.667 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 36.2 m-85 -112.66 123.6 50.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.67 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.2 tmm? -83.54 156.01 23.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 mmt 55.08 -82.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.3 m -127.59 148.9 50.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -100.61 -19.61 16.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.244 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.6 mt -45.27 -26.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 29' ' ' ASP . 60.4 p -106.31 -168.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.378 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.94 150.16 98.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.667 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.9 Cg_endo -65.95 -171.68 0.23 Allowed 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.151 3.097 . . . . 0.0 120.151 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.67 HG11 ' HB2' ' A' ' 26' ' ' MET . 6.4 m -121.42 -43.58 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.87 155.8 41.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 6' ' ' LEU . 4.3 ptp180 -165.4 136.31 3.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.17 -159.69 8.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.432 ' CB ' ' HB3' ' A' ' 18' ' ' LYS . 22.0 m -106.05 163.02 13.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.5 tt -163.35 172.74 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -112.11 -28.32 8.03 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.429 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 59.8 t -142.95 127.06 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.4 t -64.07 118.47 46.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 108.312 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 16.8 Cg_exo -64.7 173.15 5.92 Favored 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.143 3.094 . . . . 0.0 120.143 165.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -75.22 126.93 32.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 46' ' ' SER . 34.3 t30 -75.1 165.11 25.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 59.5 p -121.55 -179.23 4.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.79 -20.73 20.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.074 . . . . 0.0 109.313 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -86.4 -31.14 21.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 50' ' ' LYS . 18.7 t -126.6 165.01 25.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' N ' HG12 ' A' ' 49' ' ' VAL . 3.2 tttp -126.57 114.9 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.39 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.574 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.2 m-85 -87.35 113.5 23.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.455 HG21 ' CE1' ' A' ' 25' ' ' PHE . 4.2 t -113.74 99.15 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.9 m -94.42 152.07 18.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 108.318 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.68 172.33 18.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.26 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.705 ' C ' HD21 ' A' ' 1' ' ' LEU . 23.8 p-10 -135.86 25.71 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.7 p -108.07 137.39 46.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.496 1.122 . . . . 0.0 110.381 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -61.9 118.16 6.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 75.86 37.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.24 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.7 p -75.76 -34.29 60.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.284 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.415 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 34.7 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -104.42 111.97 24.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.0 m -107.76 150.46 26.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 108.281 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -101.15 167.16 10.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.645 ' HD2' ' HB3' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -91.52 -154.42 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.1 tp -49.97 -41.9 47.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.2 t -106.82 139.34 20.28 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -60.75 49.7 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.199 0 N-CA-C 120.13 3.089 . . . . 0.0 120.13 162.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 10' ' ' ALA . 7.3 tp -129.1 -49.21 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.645 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . . . -104.15 130.15 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.639 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 43.0 p90 -154.17 146.6 23.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -133.23 -175.46 3.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -86.15 123.31 31.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.453 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.1 m -69.56 109.68 5.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 108.347 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -59.04 -174.84 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.149 0 N-CA-C 120.03 3.05 . . . . 0.0 120.03 -168.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -54.85 129.17 36.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.223 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.43 -39.21 2.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.442 1.089 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.51 107.74 15.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.545 ' O ' HD13 ' A' ' 1' ' ' LEU . 41.5 t30 -127.29 14.14 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 81.1 mt -119.43 139.81 51.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.476 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -109.76 140.18 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 108.361 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.611 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.1 p90 -139.06 159.88 41.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -145.44 114.19 6.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.611 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -91.63 133.77 35.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.682 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 51.3 m-85 -115.88 123.99 49.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.666 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -84.34 154.05 23.12 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 111.08 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 63.08 -67.6 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.7 m -152.06 151.94 31.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.963 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -89.98 -25.63 20.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.0 mt -45.27 -26.04 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.403 ' N ' ' C ' ' A' ' 29' ' ' ASP . 60.4 p -103.33 178.32 4.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.108 . . . . 0.0 110.388 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.47 148.16 98.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.682 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 57.8 Cg_endo -64.46 -172.97 0.2 Allowed 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.165 3.102 . . . . 0.0 120.165 -174.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.666 HG11 ' HB2' ' A' ' 26' ' ' MET . 7.9 m -124.66 -44.55 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -144.34 151.59 39.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.68 132.51 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.406 1.066 . . . . 0.0 110.351 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.17 -163.9 13.38 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 4.2 m -96.06 166.14 11.91 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 tt -165.06 175.39 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -111.18 -35.39 5.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.416 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 59.2 t -140.08 128.43 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.96 119.52 55.79 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.463 1.102 . . . . 0.0 108.224 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 22.1 Cg_exo -61.83 169.76 6.81 Favored 'Trans proline' 0 CA--C 1.568 2.201 0 N-CA-C 120.139 3.092 . . . . 0.0 120.139 164.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -75.15 126.07 30.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 49' ' ' VAL . 44.9 t30 -75.43 165.86 24.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' VAL . 59.8 p -129.32 178.76 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.508 ' H ' HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -88.06 -19.75 26.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.37 -38.85 21.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.497 HG22 ' HG2' ' A' ' 26' ' ' MET . 23.8 t -122.96 162.1 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -123.73 116.5 23.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.58 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.6 m-85 -90.85 116.33 28.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.2 t -114.9 98.34 6.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 90.1 m -94.81 150.33 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.269 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.55 168.72 25.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 108.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -131.25 29.79 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.5 p -112.11 135.98 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.04 118.25 7.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.639 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 11.5 mtp180 76.39 36.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 56' ' ' THR . 2.6 p -76.03 -32.67 59.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 40.1 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.626 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 9.2 mttt -104.46 117.72 34.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.6 m -113.63 152.04 30.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -102.83 168.47 9.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 -160.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.513 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 5.3 tp -55.53 -23.77 28.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.233 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.4 t -114.96 119.23 39.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -57.51 47.56 0.05 OUTLIER 'Trans proline' 0 CA--C 1.569 2.246 0 N-CA-C 120.086 3.072 . . . . 0.0 120.086 166.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.08 -44.68 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.58 134.85 52.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -155.21 149.21 25.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 14.9 ptpt -133.75 -173.84 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.61 126.43 33.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.373 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.0 m -66.42 108.16 2.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 108.253 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -61.92 -174.75 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.168 0 N-CA-C 120.096 3.076 . . . . 0.0 120.096 -172.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -55.28 116.17 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.247 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.99 -35.93 3.62 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -128.08 111.86 13.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -114.24 -22.72 9.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 8.7 mt -95.09 155.65 16.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.452 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 m -116.99 147.41 42.33 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.492 1.12 . . . . 0.0 108.359 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.57 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 5.9 p90 -143.76 159.46 42.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.597 1.185 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.477 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -145.84 113.99 6.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.362 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.57 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -89.42 132.58 34.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.628 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 47.5 m-85 -115.22 119.34 36.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.711 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.2 tmm? -84.51 154.07 22.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 111.014 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 61.0 -72.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.4 m -141.63 154.61 45.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.26 -22.47 14.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.1 mt -45.8 -25.86 0.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.8 p -106.02 -175.66 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 110.418 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.0 146.24 98.11 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.5 Cg_endo -65.25 -167.63 0.1 Allowed 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.061 3.062 . . . . 0.0 120.061 -173.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.711 HG11 ' HB2' ' A' ' 26' ' ' MET . 3.3 m -120.83 -44.22 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -147.12 154.08 40.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.513 ' CZ ' ' O ' ' A' ' 6' ' ' LEU . 3.6 ptp180 -165.79 131.14 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.46 -155.34 6.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.1 m -108.27 159.71 16.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 tt -160.48 177.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -114.25 -35.71 4.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 55.0 t -137.06 128.12 41.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -64.14 119.12 52.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 108.342 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 20.8 Cg_exo -62.75 172.29 4.85 Favored 'Trans proline' 0 CA--C 1.567 2.135 0 N-CA-C 120.143 3.093 . . . . 0.0 120.143 164.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -75.21 126.3 30.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 46' ' ' SER . 37.3 t30 -75.25 165.25 25.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.424 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 66.5 p -121.3 178.07 4.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.973 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.34 -16.01 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -94.3 -24.44 17.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.499 HG22 ' HG2' ' A' ' 26' ' ' MET . 23.5 t -130.06 165.16 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' N ' HG12 ' A' ' 49' ' ' VAL . 6.2 tptt -127.4 116.17 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.502 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.3 m-85 -91.77 100.78 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -102.19 100.06 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.52 152.65 18.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.152 . . . . 0.0 108.233 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.49 169.58 23.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 108.303 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.626 ' C ' HD21 ' A' ' 1' ' ' LEU . 3.5 p30 -132.94 23.18 4.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.9 p -104.95 137.46 42.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.401 1.063 . . . . 0.0 110.403 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -62.22 119.26 8.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 74.66 37.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.9 p -76.05 -36.06 59.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 108.292 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.477 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 36.1 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.17 114.34 28.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -109.4 151.2 26.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.333 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -101.26 162.34 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -86.11 -158.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -50.05 -39.47 42.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.693 HG12 HG22 ' A' ' 9' ' ' ILE . 55.3 t -102.99 133.5 20.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -60.58 56.03 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.199 0 N-CA-C 120.113 3.082 . . . . 0.0 120.113 162.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.693 HG22 HG12 ' A' ' 7' ' ' VAL . 7.6 tp -138.07 -56.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.524 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -97.3 129.65 44.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.652 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 51.5 p90 -151.71 149.21 28.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -134.71 -175.85 4.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.01 128.85 34.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.415 1.072 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.0 m -74.24 110.42 9.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 108.264 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -60.33 -175.08 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.209 0 N-CA-C 120.154 3.098 . . . . 0.0 120.154 -170.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.07 124.4 16.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.355 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.9 -43.6 1.67 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.87 109.25 18.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.823 ' O ' HD13 ' A' ' 1' ' ' LEU . 64.2 t30 -127.05 19.11 7.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 10.9 mt -126.33 136.01 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -106.26 131.0 54.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 4.8 p90 -129.97 164.65 23.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -146.12 112.9 6.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.414 1.071 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.547 ' O ' HG22 ' A' ' 34' ' ' VAL . 19.2 mtp -84.73 128.72 34.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.641 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 72.1 m-85 -112.34 116.98 31.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.799 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -87.99 158.99 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.384 1.053 . . . . 0.0 111.003 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 54.95 -83.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.6 m -137.22 127.03 25.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.98 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -71.7 -22.93 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.9 mt -42.74 -27.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 29' ' ' ASP . 68.0 p -106.65 176.37 5.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.416 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.08 148.43 29.45 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.641 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 58.4 Cg_endo -64.41 -172.11 0.18 Allowed 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.166 3.102 . . . . 0.0 120.166 -177.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.799 HG11 ' HB2' ' A' ' 26' ' ' MET . 6.5 m -121.81 -41.97 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -145.05 152.33 39.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.95 129.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 110.267 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.81 -156.59 8.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.561 1.163 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 5.2 m -101.99 163.56 12.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 tt -165.31 177.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -113.8 -36.29 4.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.405 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 12.6 p -132.92 132.07 59.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -64.75 119.85 61.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 108.311 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.561 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 31.2 Cg_exo -57.9 163.29 9.66 Favored 'Trans proline' 0 CA--C 1.567 2.129 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 165.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -75.46 141.16 43.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.452 ' OD1' ' HB2' ' A' ' 51' ' ' TYR . 4.1 m-20 -73.82 -173.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.428 ' OG ' HG23 ' A' ' 49' ' ' VAL . 78.1 p -150.25 -178.34 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.539 HD23 ' C ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -97.68 -2.78 40.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.483 ' C ' ' CG2' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -128.49 7.22 5.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.383 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.483 ' CG2' ' C ' ' A' ' 48' ' ' LEU . 1.4 t -153.31 163.78 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.07 118.35 8.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 43' ' ' PRO . 11.8 m-85 -92.82 128.62 38.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 6.4 t -121.63 96.12 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 45.0 m -93.78 153.04 18.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.294 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.98 173.72 16.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.533 ' O ' HD21 ' A' ' 1' ' ' LEU . 25.5 p-10 -131.2 22.28 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 41.1 p -107.75 138.08 44.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -61.21 120.61 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.652 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 23.2 mtp180 71.73 40.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.348 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.2 p -75.6 -35.64 60.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.277 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 44.7 p30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.642 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -107.88 110.08 21.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.1 m -106.2 149.18 27.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.076 . . . . 0.0 108.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -104.67 166.75 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -160.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tp -49.67 -33.07 14.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.601 1.188 . . . . 0.0 109.275 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 63.3 t -112.82 123.35 33.95 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -58.71 42.13 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.078 3.068 . . . . 0.0 120.078 166.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.749 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -116.94 -33.32 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.47 130.45 49.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 5.5 p90 -148.81 157.01 43.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.964 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.02 -177.61 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.86 125.29 32.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.558 1.161 . . . . 0.0 110.449 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.6 m -75.15 106.45 2.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 108.346 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -61.32 -175.03 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.177 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 -168.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -55.49 120.23 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.46 -41.56 1.96 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -124.65 104.53 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 0.0 109.212 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.521 ' O ' HD13 ' A' ' 1' ' ' LEU . 16.4 t30 -118.63 21.79 12.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 91.9 mt -127.27 135.85 51.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.464 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -107.23 126.21 52.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.3 p90 -124.34 160.36 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HB3' ' CB ' ' A' ' 36' ' ' ARG . 7.5 pttt -145.18 111.79 5.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.592 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.3 mpp? -84.69 133.4 34.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 7.0 m-85 -117.96 116.81 27.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.719 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -86.77 155.47 20.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.95 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.47 ' C ' ' O ' ' A' ' 26' ' ' MET . 0.2 OUTLIER 30.45 87.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.8 m 65.65 139.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -103.03 -12.39 17.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.8 mt -45.08 -26.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' ASP . 36.1 p -102.07 177.43 4.89 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.579 1.175 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.72 140.07 96.16 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.589 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 38.4 Cg_endo -58.32 -170.03 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 120.106 3.079 . . . . 0.0 120.106 -171.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.719 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.4 m -114.44 -46.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.29 156.62 43.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.408 ' CB ' ' HB3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -166.09 128.93 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.09 -154.91 6.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 3.9 m -106.29 164.12 12.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.5 tt -165.49 175.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.443 ' OD2' HG23 ' A' ' 41' ' ' VAL . 9.1 p-10 -104.63 -36.72 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.357 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.443 HG23 ' OD2' ' A' ' 40' ' ' ASP . 94.0 t -141.36 141.24 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.49 119.1 53.89 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 108.25 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 24.1 Cg_exo -60.7 -170.62 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.126 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 166.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -176.46 3.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -163.87 140.56 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.1 p -114.44 -172.66 2.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.22 -11.05 53.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.75 -36.2 17.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 t -120.37 167.26 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -137.29 107.2 6.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.588 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 6.3 m-85 -85.2 93.57 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.47 100.95 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 98.7 m -94.48 153.15 18.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 108.272 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -154.91 170.85 20.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 108.224 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.642 ' C ' HD21 ' A' ' 1' ' ' LEU . 29.6 p-10 -134.92 22.77 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 15.3 p -105.75 137.41 43.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 10.4 m-20 -62.32 118.21 7.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.41 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 3.3 mtt180 77.48 35.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.5 p -75.91 -36.97 59.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 48.2 p30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -109.47 116.82 32.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -112.07 142.93 43.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 108.247 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -96.1 165.01 12.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.593 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -88.11 -163.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 34' ' ' VAL . 4.5 tp -49.29 -27.8 4.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.2 t -110.13 131.48 21.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -61.47 57.21 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.136 0 N-CA-C 120.071 3.066 . . . . 0.0 120.071 162.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -145.35 -50.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.365 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.593 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -99.59 126.98 45.68 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -148.79 161.5 41.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -145.23 -177.1 5.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.431 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -84.7 123.73 30.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.2 m -70.37 104.12 0.77 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 108.321 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -60.07 -174.85 0.1 OUTLIER 'Trans proline' 0 CA--C 1.568 2.186 0 N-CA-C 120.231 3.127 . . . . 0.0 120.231 -165.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -54.88 125.91 22.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.48 -43.9 1.58 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -111.95 101.66 9.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.372 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.457 ' O ' HD13 ' A' ' 1' ' ' LEU . 11.6 t-20 -118.06 23.56 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.425 1.078 . . . . 0.0 109.356 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 40' ' ' ASP . 53.5 mt -129.88 139.34 51.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.1 m -109.57 131.03 55.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 108.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.527 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 3.4 p90 -130.42 161.73 30.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HG3' ' HB ' ' A' ' 52' ' ' VAL . 23.5 pttt -145.69 110.77 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.597 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -84.46 131.29 34.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.886 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 34.6 m-85 -115.4 119.27 35.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.793 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -85.44 155.94 21.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.9 mtp 59.06 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.8 m -140.67 145.31 36.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -90.79 -23.85 20.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.2 mt -42.71 -27.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.225 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 29' ' ' ASP . 53.8 p -108.45 177.85 4.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.36 144.73 77.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.559 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 61.3 Cg_endo -66.37 -165.98 0.1 Allowed 'Trans proline' 0 CA--C 1.567 2.163 0 N-CA-C 120.166 3.102 . . . . 0.0 120.166 -175.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.793 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.4 m -118.42 -46.92 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.53 156.04 42.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.434 ' NE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.03 135.82 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.7 -156.74 8.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.76 164.19 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 tt -165.43 175.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' O ' HD12 ' A' ' 20' ' ' LEU . 7.3 t70 -108.42 -32.58 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.426 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 2.5 p -141.66 141.63 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.8 t -64.56 116.43 28.62 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.279 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.575 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 39.6 Cg_exo -57.12 -165.52 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.14 3.092 . . . . 0.0 120.14 170.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -176.43 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.09 129.8 2.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 49' ' ' VAL . 36.6 p -121.04 -171.33 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.938 ' O ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -91.06 -24.75 19.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.555 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -78.01 -26.42 48.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -128.88 167.76 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -140.34 118.61 12.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.597 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 9.3 m-85 -97.93 96.47 8.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.41 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 2.2 t -91.2 99.29 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 75.1 m -94.9 150.39 20.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 108.312 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.93 171.02 20.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 108.268 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -135.02 27.82 3.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.508 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 17.4 p -112.8 141.67 46.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -63.11 123.6 19.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 70.54 36.49 1.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.403 1.064 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 56' ' ' THR . 5.7 p -76.28 -38.7 55.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 108.279 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.421 ' ND2' ' HD3' ' A' ' 36' ' ' ARG . 40.9 p-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.45 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -107.72 114.88 29.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 m -112.14 151.2 29.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 108.272 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -99.6 163.98 12.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.478 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -90.03 -155.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 6' ' ' LEU . 2.5 tm? -50.84 -42.16 58.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.645 HG12 HG22 ' A' ' 9' ' ' ILE . 53.3 t -102.98 133.56 20.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.6 Cg_exo -60.9 56.88 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.125 0 N-CA-C 120.166 3.102 . . . . 0.0 120.166 162.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.645 HG22 HG12 ' A' ' 7' ' ' VAL . 6.5 tp -137.87 -55.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.521 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -100.54 129.22 46.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -147.28 153.48 39.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.72 -178.61 5.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -85.55 126.05 33.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.0 m -73.82 110.88 10.16 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 108.323 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -59.18 -174.79 0.08 OUTLIER 'Trans proline' 0 CA--C 1.569 2.239 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 -168.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -54.74 127.24 27.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.65 -39.4 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -109.13 88.48 2.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.449 ' O ' HD13 ' A' ' 1' ' ' LEU . 23.9 t30 -112.64 20.52 16.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.0 mt -126.31 144.48 50.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.483 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.2 m -115.39 140.2 49.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.548 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 3.0 p90 -140.88 164.41 30.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.146 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -146.04 119.29 8.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.593 ' O ' HG22 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -91.75 125.39 36.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.688 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.6 m-85 -110.37 118.3 35.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.606 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -88.15 156.23 19.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.478 ' C ' ' O ' ' A' ' 26' ' ' MET . 0.0 OUTLIER 31.23 84.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.1 m 65.08 139.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.47 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -103.02 -16.32 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.2 mt -42.86 -27.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.446 ' N ' ' C ' ' A' ' 29' ' ' ASP . 67.0 p -94.05 -155.89 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.425 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -87.26 152.12 52.25 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.688 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 57.7 Cg_endo -63.73 177.68 1.68 Allowed 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 -178.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.606 HG11 ' HB2' ' A' ' 26' ' ' MET . 12.2 m -117.64 -41.21 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HE2' ' HE1' ' A' ' 24' ' ' MET . 4.2 ptmt -151.29 154.41 36.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.455 ' NH2' ' C ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -165.55 134.52 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.53 -158.47 8.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.79 165.28 11.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 tt -163.68 176.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.233 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -112.01 -36.79 5.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.421 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 53.0 t -137.09 126.95 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.75 119.42 57.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 108.291 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 20.6 Cg_exo -63.03 172.67 4.67 Favored 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 164.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.42 127.16 32.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 46' ' ' SER . 45.3 t30 -75.28 165.86 24.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.404 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 7.6 p -124.33 -172.44 2.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 tp -97.8 -35.34 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.476 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -79.67 -6.9 58.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -145.38 165.97 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -132.43 125.93 31.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.431 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.5 m-85 -102.25 109.05 20.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 t -109.04 99.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 80.0 m -94.4 153.16 18.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.254 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.38 171.39 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.45 ' C ' HD21 ' A' ' 1' ' ' LEU . 11.5 p-10 -134.49 24.6 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.347 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 49.2 p -109.47 137.28 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.396 1.06 . . . . 0.0 110.455 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD1' ' HA ' ' A' ' 1' ' ' LEU . 13.7 m-20 -61.3 119.57 8.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 74.62 38.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 3.2 p -75.39 -41.43 56.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 108.281 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.471 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 40.2 p-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.771 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -108.17 116.93 32.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 m -113.53 148.25 36.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 108.24 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -99.26 165.84 11.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.444 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -93.45 -156.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.452 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 7.6 tt -50.18 -35.46 26.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 79.4 t -107.84 129.35 24.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -60.24 53.21 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 163.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 10' ' ' ALA . 6.0 tp -135.64 -49.5 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.444 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -104.28 132.61 50.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -151.06 154.6 37.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -133.48 -174.69 3.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.345 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.26 123.94 33.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.7 m -73.38 106.13 2.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 108.341 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -59.76 -176.2 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.089 3.073 . . . . 0.0 120.089 -168.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.15 123.66 14.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.27 -38.25 3.39 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -118.44 96.26 5.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 0.737 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.771 ' O ' HD13 ' A' ' 1' ' ' LEU . 27.3 t30 -113.51 22.64 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 96.2 mt -130.02 142.34 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 5.1 m -114.13 125.48 54.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 108.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.584 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 4.1 p90 -123.5 162.18 23.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.483 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 17.9 pttt -145.98 110.36 5.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -84.12 131.6 34.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.067 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 26.1 m-85 -115.72 121.44 42.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.798 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -87.0 152.76 22.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' A' ' 26' ' ' MET . 1.4 mmt 62.54 -67.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.0 t -146.17 156.52 43.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 109.961 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.448 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -101.64 -35.05 9.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.5 mt -40.73 -29.33 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.448 ' N ' ' C ' ' A' ' 29' ' ' ASP . 32.1 p -89.38 -152.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -103.67 139.33 20.0 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.516 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 58.1 Cg_endo -64.39 -167.04 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.106 3.079 . . . . 0.0 120.106 -164.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.798 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.3 m -118.64 -46.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.551 ' HE2' ' HE1' ' A' ' 24' ' ' MET . 15.1 ptmt -147.73 155.49 41.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -165.89 131.55 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.217 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.03 -153.85 6.41 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 3.9 m -107.33 164.24 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 tt -165.66 176.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -105.04 -33.25 8.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.427 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 2.6 p -143.99 144.86 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.371 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.42 116.43 28.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 0.0 108.294 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 31.5 Cg_exo -58.38 -163.7 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.198 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 169.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -67.93 -175.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.86 129.05 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.232 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.8 p -114.5 -177.02 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.943 ' O ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -88.89 -19.25 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.538 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -83.43 -32.26 26.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 2.4 t -122.28 165.58 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.75 119.39 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.577 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 7.4 m-85 -96.9 89.17 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.407 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 1.6 t -84.83 99.63 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.1 m -94.39 153.07 18.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.383 1.052 . . . . 0.0 108.347 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.82 169.26 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -132.99 28.11 4.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.257 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 68.4 p -113.72 138.71 49.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -61.85 119.04 8.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 76.42 38.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.282 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.5 p -76.02 -42.61 47.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 108.348 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.483 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 41.5 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.345 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.879 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 3.4 mttp -107.0 113.3 26.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.6 m -107.94 149.13 28.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 108.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.74 165.58 11.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.465 ' HE3' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -86.63 -156.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.223 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tt -51.08 -38.88 54.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.707 HG12 HG22 ' A' ' 9' ' ' ILE . 39.0 t -103.35 132.8 20.74 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.8 Cg_exo -60.88 59.66 0.09 OUTLIER 'Trans proline' 0 CA--C 1.566 2.111 0 N-CA-C 120.09 3.073 . . . . 0.0 120.09 162.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.707 HG22 HG12 ' A' ' 7' ' ' VAL . 8.1 tp -137.66 -56.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.523 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -101.07 136.76 40.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -153.86 150.77 28.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.065 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 3.1 mmmt -131.01 -177.99 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.59 125.15 32.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.434 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -72.52 108.37 4.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.298 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -59.81 -174.81 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.198 0 N-CA-C 120.097 3.076 . . . . 0.0 120.097 -168.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -54.8 126.04 22.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.48 -38.38 3.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -117.87 104.35 10.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.749 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.879 ' O ' HD13 ' A' ' 1' ' ' LEU . 34.8 t30 -123.13 15.84 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 91.4 mt -121.91 143.8 49.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.46 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.8 m -112.72 142.37 45.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 108.313 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.6 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.1 p90 -142.37 159.63 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 7.3 pttt -145.89 113.89 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.6 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -89.96 131.51 35.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.67 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 76.0 m-85 -113.12 123.52 50.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.797 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -87.1 154.32 20.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.604 ' HG3' ' HE2' ' A' ' 26' ' ' MET . 0.2 OUTLIER 62.91 -66.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.552 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.2 m -152.78 153.7 33.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.22 -23.71 18.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.2 mt -47.13 -25.35 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.3 p -105.11 -178.6 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.458 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.65 149.0 97.85 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.67 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.6 Cg_endo -65.71 -177.16 0.67 Allowed 'Trans proline' 0 CA--C 1.567 2.126 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 -177.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.797 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.9 m -117.15 -45.97 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -145.27 153.17 41.01 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.14 132.75 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.76 -161.2 10.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 13.6 m -98.46 164.72 12.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 tt -165.59 177.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -114.14 -34.76 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.435 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 9.5 p -136.77 129.94 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.97 115.72 21.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 108.336 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 38.0 Cg_exo -57.7 179.09 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 170.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -75.41 128.86 36.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.491 HD22 ' N ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -75.3 158.51 32.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.491 ' N ' HD22 ' A' ' 45' ' ' ASN . 96.5 p -124.01 169.68 11.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.909 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.919 ' O ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -90.39 -18.53 25.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.459 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -94.95 -20.28 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 3.3 t -132.44 157.73 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.22 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' MET . 12.7 tptt -122.05 122.25 38.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.541 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 7.5 m-85 -97.16 116.72 29.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.8 t -114.63 98.71 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 99.7 m -94.5 149.9 20.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.294 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.77 172.05 18.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 108.319 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.835 ' C ' HD21 ' A' ' 1' ' ' LEU . 31.7 p-10 -134.72 23.42 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.6 p -104.84 137.05 43.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 13.3 m-20 -62.2 118.99 8.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.17 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' HG3' ' C ' ' A' ' 57' ' ' ASP . 3.0 mtm180 75.01 37.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.3 p -75.81 -36.78 59.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.339 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 42.1 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.398 1.061 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.63 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -112.03 115.19 28.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -110.93 145.77 37.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.356 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.3 m-20 -96.84 172.21 8.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.456 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -93.82 -157.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HG ' ' NH2' ' A' ' 36' ' ' ARG . 2.2 tp -52.77 -29.43 27.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.6 t -111.74 129.82 23.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -60.55 48.53 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 163.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 10' ' ' ALA . 3.6 tp -129.62 -50.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.456 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -105.16 128.54 53.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.638 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 43.6 p90 -150.59 154.43 37.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -137.68 -176.83 4.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.613 1.196 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.93 127.8 34.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.394 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.1 m -74.04 106.37 2.47 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 108.333 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -60.64 -174.99 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 -167.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -55.33 120.17 6.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.42 -38.57 2.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 104.61 8.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.594 ' O ' HD13 ' A' ' 1' ' ' LEU . 13.3 t-20 -117.75 20.45 13.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 95.6 mt -127.91 144.92 51.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.46 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -114.31 140.49 48.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 108.337 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 3.1 p90 -137.24 163.61 30.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.17 115.53 7.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.656 ' HE2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -88.36 130.91 35.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.644 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 38.2 m-85 -117.2 117.18 28.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.689 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -86.72 155.25 20.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.37 -73.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.9 m -141.34 150.14 42.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.409 1.068 . . . . 0.0 110.048 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.431 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -99.58 -21.35 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.8 mt -44.14 -26.91 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.431 ' N ' ' C ' ' A' ' 29' ' ' ASP . 44.2 p -107.83 -176.21 3.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 110.361 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.84 145.45 97.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.644 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.0 Cg_endo -65.31 -169.09 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.111 3.081 . . . . 0.0 120.111 -175.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.689 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.8 m -115.12 -42.47 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -147.88 158.82 44.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.421 ' NH2' ' HG ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -165.59 133.96 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.71 -153.66 6.65 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 4.0 m -110.42 164.79 12.34 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.8 tt -164.44 175.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.489 1.118 . . . . 0.0 109.23 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -107.01 -40.68 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.229 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.44 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 9.8 p -135.34 137.09 50.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.17 115.19 17.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.272 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 21.1 Cg_exo -63.01 -165.72 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.071 3.066 . . . . 0.0 120.071 170.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -74.54 -175.17 2.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -163.57 135.08 4.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.7 p -105.03 -173.68 2.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.929 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.408 HD23 ' N ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -88.97 -17.64 29.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -84.63 -28.24 26.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.235 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 2.1 t -123.85 167.69 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' H ' HG12 ' A' ' 49' ' ' VAL . 4.0 tptp -137.87 112.52 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.656 ' CE2' ' HE2' ' A' ' 24' ' ' MET . 4.7 m-85 -89.99 99.64 12.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -99.9 102.44 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.0 m -94.1 153.52 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.269 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -154.55 171.71 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 108.292 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.63 ' C ' HD21 ' A' ' 1' ' ' LEU . 18.4 p-10 -136.29 20.58 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.46 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 34.2 p -104.43 136.72 43.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 11.4 m-20 -62.07 117.87 6.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.638 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 27.1 mtp180 78.63 36.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.2 p -76.07 -37.57 58.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' C ' ' OD1' ' A' ' 60' ' ' ASN . 38.3 p-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 13' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.69 112.25 24.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.6 m -108.32 143.68 36.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 108.237 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -97.89 174.59 6.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -94.35 -160.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -49.84 -37.65 31.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.691 HG12 HG22 ' A' ' 9' ' ' ILE . 56.1 t -102.77 131.18 22.54 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.55 57.31 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.18 3.108 . . . . 0.0 120.18 163.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.691 HG22 HG12 ' A' ' 7' ' ' VAL . 8.7 tp -136.48 -56.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -100.92 132.83 46.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.422 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 40.4 p90 -151.37 152.28 32.9 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.13 -175.31 3.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -88.91 128.31 35.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.3 m -74.38 114.79 37.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.337 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -60.99 -179.89 0.33 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.129 3.088 . . . . 0.0 120.129 -173.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.0 122.04 12.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.92 -39.3 2.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.394 1.059 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.39 105.3 10.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -116.25 15.38 15.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 40' ' ' ASP . 18.8 mt -122.44 142.96 50.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.7 m -114.81 134.84 54.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 108.318 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.4 p90 -135.42 161.54 35.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' O ' ' CE1' ' A' ' 25' ' ' PHE . 7.4 pttt -145.76 119.5 9.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.57 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -94.53 130.04 41.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.655 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 16.3 m-85 -117.03 128.87 55.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.67 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -84.78 157.47 20.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.566 ' O ' ' CB ' ' A' ' 28' ' ' SER . 3.9 mmm 29.84 71.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 27' ' ' MET . 2.1 t 90.33 151.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.932 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.494 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -110.23 -34.02 6.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' ASP . 48.5 mt -39.8 -29.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.447 ' N ' ' C ' ' A' ' 29' ' ' ASP . 47.5 p -78.14 -161.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.42 HG23 ' HD2' ' A' ' 33' ' ' PRO . 1.1 mp -96.35 146.2 30.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.655 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 57.3 Cg_endo -63.55 162.58 27.19 Favored 'Trans proline' 0 CA--C 1.567 2.14 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -171.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.67 HG11 ' HB2' ' A' ' 26' ' ' MET . 6.8 m -105.88 -39.53 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.087 . . . . 0.0 109.255 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.34 150.15 26.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -156.37 169.0 25.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.411 ' HA2' ' NH1' ' A' ' 36' ' ' ARG . . . 172.97 -169.08 42.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 6.1 m -96.9 165.77 11.94 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 tt -165.26 174.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.653 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.3 p-10 -108.95 -41.11 4.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 7.3 p -134.0 129.34 54.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.6 1.187 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.8 t -64.17 118.83 50.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.382 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 21.0 Cg_exo -62.71 171.82 5.34 Favored 'Trans proline' 0 CA--C 1.567 2.145 0 N-CA-C 120.066 3.064 . . . . 0.0 120.066 165.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -75.11 125.89 29.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 46' ' ' SER . 39.7 t30 -75.37 165.33 25.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.454 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 95.5 p -119.98 -174.29 2.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.23 -23.11 17.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.93 -41.19 16.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 2.6 t -114.06 164.51 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 109.222 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.37 119.23 25.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.8 m-85 -92.05 110.9 22.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.169 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 11.7 t -110.52 100.38 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.0 m -98.29 152.03 19.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 108.213 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.55 169.64 23.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -131.53 27.13 4.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.375 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.524 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.5 p -112.23 141.3 46.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.142 . . . . 0.0 110.352 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.401 ' OD1' ' HA ' ' A' ' 1' ' ' LEU . 21.0 m-20 -63.89 126.74 28.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.401 ' HG3' ' C ' ' A' ' 57' ' ' ASP . 13.1 mtm180 67.29 35.54 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 56' ' ' THR . 6.2 p -75.99 -26.31 56.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.3 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.487 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 52.7 p30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 109.317 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.734 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -102.44 116.5 32.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 m -112.8 143.98 43.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 108.342 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -99.09 161.09 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.43 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -85.39 -164.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.592 HD11 ' O ' ' A' ' 34' ' ' VAL . 6.5 tp -48.95 -29.17 4.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.2 t -109.96 128.14 25.89 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -60.26 56.45 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.079 3.069 . . . . 0.0 120.079 163.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.699 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -140.49 -46.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.408 ' O ' ' HD2' ' A' ' 5' ' ' LYS . . . -105.13 133.59 49.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -155.84 151.95 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -136.61 -177.18 4.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.91 119.68 25.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.5 m -66.13 104.88 0.66 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 108.28 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -60.1 -175.52 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.197 0 N-CA-C 120.113 3.082 . . . . 0.0 120.113 -166.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -54.88 126.5 24.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.269 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.13 -42.67 1.88 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.415 1.072 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -118.0 104.61 11.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.69 ' O ' HD13 ' A' ' 1' ' ' LEU . 40.3 t30 -122.4 22.72 9.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.0 mt -127.83 125.31 39.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.6 m -96.5 133.77 40.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.557 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 2.4 p90 -133.4 164.62 26.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.615 1.197 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.14 122.38 10.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.821 ' HE2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -91.86 127.46 37.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.673 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 79.1 m-85 -112.82 115.54 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.938 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.795 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -85.66 157.95 20.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.055 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.4 mmm 57.88 -79.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.7 m -143.6 133.54 24.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -73.68 -24.41 59.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.9 mt -43.3 -27.62 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.108 . . . . 0.0 109.217 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 29' ' ' ASP . 69.4 p -106.33 177.3 4.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.447 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.59 150.69 24.34 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.673 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 58.9 Cg_endo -64.93 -176.83 0.49 Allowed 'Trans proline' 0 CA--C 1.567 2.144 0 N-CA-C 120.107 3.08 . . . . 0.0 120.107 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.795 HG11 ' HB2' ' A' ' 26' ' ' MET . 5.4 m -119.63 -42.84 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.03 157.34 43.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.43 ' NE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -167.42 139.23 3.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.54 -166.71 23.92 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.394 1.059 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -95.29 166.03 12.1 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.5 tt -165.35 176.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -113.42 -36.77 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.43 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 7.5 p -133.84 130.35 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -67.44 119.79 68.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 108.298 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.43 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 16.3 Cg_exo -65.34 161.94 35.7 Favored 'Trans proline' 0 CA--C 1.567 2.174 0 N-CA-C 120.125 3.087 . . . . 0.0 120.125 164.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -75.32 127.41 33.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.443 ' ND2' ' HA ' ' A' ' 50' ' ' LYS . 47.7 t30 -75.11 166.3 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.584 ' C ' HD13 ' A' ' 47' ' ' LEU . 78.3 p -119.74 -174.17 2.69 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.413 1.071 . . . . 0.0 110.001 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.796 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -94.12 -6.74 44.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.497 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -106.37 -14.67 15.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.9 t -135.29 168.15 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -138.57 107.57 6.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.821 ' CE2' ' HE2' ' A' ' 24' ' ' MET . 4.4 m-85 -84.48 131.97 34.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 4.4 t -127.53 98.89 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 84.5 m -94.01 149.1 21.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.264 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -154.71 170.73 20.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 0.0 108.345 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.734 ' C ' HD21 ' A' ' 1' ' ' LEU . 5.6 p30 -133.08 22.99 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 11.8 p -105.7 137.71 43.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.423 ' C ' ' CG ' ' A' ' 58' ' ' ARG . 18.7 m-20 -61.73 119.8 9.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.423 ' CG ' ' C ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER 73.52 37.7 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 110.225 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' THR . 4.3 p -75.77 -32.53 59.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 108.327 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.425 ' C ' ' OD1' ' A' ' 60' ' ' ASN . 40.9 p-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.662 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 13.6 mttt -110.81 113.78 26.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 m -111.58 147.57 35.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.348 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.425 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -98.89 175.34 5.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -92.96 -162.15 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.723 HD23 HG23 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -49.96 -32.42 14.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.723 HG23 HD23 ' A' ' 6' ' ' LEU . 39.2 t -107.83 132.15 21.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -61.95 60.99 0.12 Allowed 'Trans proline' 0 CA--C 1.568 2.215 0 N-CA-C 120.117 3.083 . . . . 0.0 120.117 162.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -140.4 -48.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.436 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -109.51 133.02 53.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.454 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 43.3 p90 -154.14 148.08 25.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 11.5 mmmt -132.35 -173.21 3.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.68 129.82 34.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.4 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.6 m -71.82 111.59 11.07 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.499 1.124 . . . . 0.0 108.234 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -61.68 -174.92 0.14 Allowed 'Trans proline' 0 CA--C 1.567 2.173 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 -172.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.19 116.22 3.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.31 -39.45 2.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -120.92 111.78 17.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.245 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.495 ' O ' HD13 ' A' ' 1' ' ' LEU . 13.8 t-20 -115.35 -14.96 11.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.435 1.085 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 22.8 mt -101.04 158.61 15.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.451 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -121.07 148.96 43.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 108.339 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.449 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 21.4 p90 -145.42 159.28 43.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HD3' ' CB ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -145.98 116.32 7.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.549 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -91.23 132.1 36.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.644 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 82.0 m-85 -116.16 118.97 34.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.671 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -84.62 155.93 21.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.19 -78.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.4 m -132.85 151.02 52.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.956 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -100.47 -21.66 15.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 mt -44.54 -26.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.409 ' N ' ' C ' ' A' ' 29' ' ' ASP . 62.6 p -106.22 -178.19 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.92 151.77 53.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.644 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.0 Cg_endo -64.63 -174.0 0.26 Allowed 'Trans proline' 0 CA--C 1.567 2.16 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.671 HG11 ' HB2' ' A' ' 26' ' ' MET . 4.6 m -119.69 -42.35 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -149.82 157.27 43.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.27 171.75 11.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.423 ' HA2' ' NH1' ' A' ' 36' ' ' ARG . . . 165.92 -166.63 38.75 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -99.27 154.43 18.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 tt -154.4 178.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -114.43 -39.63 3.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.42 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 55.3 t -131.98 127.71 58.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.47 119.17 54.46 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 108.244 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 21.9 Cg_exo -62.09 168.15 9.59 Favored 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.119 3.084 . . . . 0.0 120.119 164.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -74.14 125.29 28.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.23 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 46' ' ' SER . 38.4 t30 -75.5 164.51 26.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.454 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 85.0 p -126.26 -178.45 4.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.818 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -90.55 -24.41 20.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.818 HD22 HD23 ' A' ' 47' ' ' LEU . 3.7 mm? -81.1 -34.91 32.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.634 HG22 ' HG2' ' A' ' 26' ' ' MET . 21.9 t -124.21 162.77 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' N ' HG12 ' A' ' 49' ' ' VAL . 12.6 tttt -125.85 117.51 23.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.549 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.8 m-85 -92.41 118.51 31.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.5 t -118.26 99.08 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 79.7 m -94.0 151.95 19.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.17 172.07 18.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 108.292 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.662 ' C ' HD21 ' A' ' 1' ' ' LEU . 36.2 p-10 -135.45 21.36 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.482 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 56.8 p -105.81 138.57 41.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 1' ' ' LEU . 22.7 m-20 -62.69 121.22 12.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.454 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 19.7 mtp180 73.83 37.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 56' ' ' THR . 2.8 p -75.72 -34.71 60.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 108.315 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 45.0 p30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 19' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -103.78 106.95 17.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -104.34 147.36 27.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.253 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.81 168.57 10.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.508 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -91.55 -157.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.412 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 4.0 tt -49.71 -38.06 31.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 42.6 t -103.87 132.34 21.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.6 Cg_exo -61.03 56.61 0.1 OUTLIER 'Trans proline' 0 CA--C 1.567 2.161 0 N-CA-C 120.189 3.111 . . . . 0.0 120.189 162.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.628 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -141.85 -47.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.508 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -103.77 126.06 50.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -144.98 155.93 43.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 111.06 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.92 -177.48 4.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.84 122.04 29.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.8 m -71.33 108.45 3.87 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 108.246 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -59.43 -175.78 0.1 OUTLIER 'Trans proline' 0 CA--C 1.568 2.214 0 N-CA-C 120.129 3.088 . . . . 0.0 120.129 -168.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -55.43 126.35 24.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.23 -44.22 1.55 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -112.28 98.9 7.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 0.731 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.518 ' O ' HD12 ' A' ' 1' ' ' LEU . 29.4 t30 -114.61 30.42 7.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 40' ' ' ASP . 44.1 mt -139.07 146.74 41.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.494 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.4 m -115.81 136.59 52.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.334 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.601 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.4 p90 -135.3 161.23 36.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 1.9 pttt -145.76 115.46 7.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.601 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.3 mpp? -92.53 131.75 37.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.666 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 52.4 m-85 -115.85 125.32 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.662 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -83.55 153.59 24.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.0 mmm 61.93 -66.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -145.35 160.09 42.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -102.15 -32.55 10.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mt -45.57 -26.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.424 ' N ' ' C ' ' A' ' 29' ' ' ASP . 62.5 p -89.65 -156.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -94.09 148.21 34.77 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.666 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 58.0 Cg_endo -64.31 175.24 3.48 Favored 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -174.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.662 HG11 ' HB2' ' A' ' 26' ' ' MET . 12.1 m -118.55 -43.88 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 2.0 tptt -147.36 145.98 29.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.367 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -160.31 140.39 11.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.14 . . . . 0.0 110.243 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.4 -156.15 8.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 3.8 m -105.31 165.59 11.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 tt -165.65 175.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.498 ' O ' HD12 ' A' ' 20' ' ' LEU . 12.5 p-10 -111.49 -39.87 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.433 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 8.5 p -134.3 128.43 52.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 t -64.41 118.71 49.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 108.351 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 18.9 Cg_exo -63.53 173.04 4.78 Favored 'Trans proline' 0 CA--C 1.569 2.242 0 N-CA-C 120.11 3.081 . . . . 0.0 120.11 165.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -75.21 127.33 32.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -74.72 165.62 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.9 p -115.92 -172.58 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.939 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.87 -28.52 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.14 -38.09 19.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 50' ' ' LYS . 3.8 t -106.29 168.22 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' H ' HG12 ' A' ' 49' ' ' VAL . 8.0 tptt -133.3 113.41 12.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.58 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.3 m-85 -88.74 115.19 26.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 111.066 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.0 t -116.44 98.72 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.1 m -94.06 153.29 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.314 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.5 171.48 19.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -136.1 27.97 3.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 76.3 p -112.81 138.26 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -61.72 119.93 9.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 73.83 39.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 2.3 p -76.14 -37.32 58.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.453 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 40.2 p-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.874 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -99.96 111.04 23.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.2 m -104.31 151.21 23.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 108.328 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -101.33 160.6 14.28 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.536 ' HD2' ' HB3' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -86.49 -160.68 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.45 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -50.66 -31.91 17.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.342 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.497 HG12 HG22 ' A' ' 9' ' ' ILE . 50.1 t -108.95 131.14 21.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.387 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.441 ' HG3' ' NH2' ' A' ' 36' ' ' ARG . 24.3 Cg_exo -60.44 47.88 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.195 0 N-CA-C 120.097 3.076 . . . . 0.0 120.097 163.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.497 HG22 HG12 ' A' ' 7' ' ' VAL . 9.8 tp -131.07 -48.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.536 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . . . -103.67 132.07 50.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -155.14 147.8 24.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.92 179.43 6.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.31 122.47 28.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.5 m -69.21 108.97 3.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 108.325 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -61.01 -174.54 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.165 3.102 . . . . 0.0 120.165 -171.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -54.63 124.79 17.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.55 -39.27 2.89 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -128.22 106.46 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.797 . . . . 0.0 109.284 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.874 ' O ' HD13 ' A' ' 1' ' ' LEU . 41.8 t30 -120.06 15.4 12.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 40' ' ' ASP . 27.6 mt -120.83 147.32 45.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.471 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 m -115.97 143.37 45.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.55 1.157 . . . . 0.0 108.347 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.611 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.0 p90 -142.84 157.67 44.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.458 1.099 . . . . 0.0 111.04 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.51 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -142.88 116.14 8.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.593 1.183 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.611 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -91.73 135.27 34.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.646 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 27.2 m-85 -117.55 119.49 35.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.639 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.9 tmm? -83.74 153.86 23.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mmt 61.28 -73.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.4 m -139.49 154.11 47.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.548 1.155 . . . . 0.0 109.951 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -101.41 -22.11 14.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.5 mt -44.76 -26.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.404 ' N ' ' C ' ' A' ' 29' ' ' ASP . 55.0 p -105.85 -177.54 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -65.18 147.47 98.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.646 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.1 Cg_endo -65.37 -173.0 0.26 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 -175.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.639 HG11 ' HB2' ' A' ' 26' ' ' MET . 3.8 m -115.68 -43.8 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.03 154.47 42.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -165.82 128.98 2.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.27 -156.28 7.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.565 1.166 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 4.2 m -105.37 165.29 11.23 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 tt -165.3 176.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 109.356 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.547 ' O ' HD12 ' A' ' 20' ' ' LEU . 13.7 t70 -112.09 -40.73 4.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.43 HG23 ' OD1' ' A' ' 40' ' ' ASP . 53.5 t -135.08 129.51 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.416 1.073 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -67.79 119.66 68.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.329 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 18.1 Cg_exo -63.73 176.86 2.06 Favored 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 164.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 128.04 34.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 46' ' ' SER . 44.5 t30 -75.86 166.22 23.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.425 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 89.4 p -124.92 177.36 6.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.05 -22.27 20.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.421 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -84.86 -27.0 27.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 50' ' ' LYS . 19.2 t -129.05 166.91 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.462 ' N ' HG12 ' A' ' 49' ' ' VAL . 24.5 tptt -128.14 116.48 20.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.405 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.9 m-85 -91.27 108.1 19.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.421 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 14.8 t -107.69 97.38 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 91.0 m -95.81 148.93 22.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 108.239 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -154.19 172.85 16.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 108.246 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.615 ' C ' HD21 ' A' ' 1' ' ' LEU . 3.8 p30 -134.15 22.07 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.514 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 9.7 p -103.98 139.63 38.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.401 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 14.1 m-20 -63.35 124.31 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.401 ' HG3' ' C ' ' A' ' 57' ' ' ASP . 29.2 mtp180 69.17 36.17 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 56' ' ' THR . 5.0 p -76.12 -27.31 57.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 108.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.437 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 44.7 p-10 . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.729 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -103.84 113.3 26.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 m -110.52 144.9 38.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 108.273 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -97.97 169.72 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.7 -156.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 tp -50.86 -37.29 42.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.56 HG12 HG22 ' A' ' 9' ' ' ILE . 42.6 t -105.76 129.57 24.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.63 55.33 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.167 0 N-CA-C 120.183 3.109 . . . . 0.0 120.183 163.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.56 HG22 HG12 ' A' ' 7' ' ' VAL . 7.2 tp -134.87 -47.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -110.34 131.43 55.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.481 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 35.6 p90 -147.4 157.22 43.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.09 -178.36 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.3 121.99 28.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.7 m -69.5 106.05 1.36 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -59.59 -174.83 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.204 0 N-CA-C 120.067 3.064 . . . . 0.0 120.067 -165.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -54.81 124.38 16.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.49 -40.6 2.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -115.68 107.92 15.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 0.721 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.729 ' O ' HD13 ' A' ' 1' ' ' LEU . 54.1 t30 -121.96 15.49 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.249 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 40' ' ' ASP . 54.4 mt -121.4 143.22 49.34 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -115.75 131.84 56.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 108.241 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.6 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 4.3 p90 -131.12 162.15 30.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -145.9 114.64 6.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.6 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -90.41 129.02 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 111.026 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.682 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 82.4 m-85 -112.44 121.78 45.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 110.965 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.732 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -84.19 153.09 23.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.988 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.89 -67.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.052 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -148.4 159.03 44.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -100.19 -34.7 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.5 mt -42.98 -27.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.436 ' N ' ' C ' ' A' ' 29' ' ' ASP . 55.9 p -89.99 -154.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.465 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -98.03 145.46 29.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.682 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 56.4 Cg_endo -63.12 -173.1 0.15 Allowed 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -171.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.732 HG11 ' HB2' ' A' ' 26' ' ' MET . 4.7 m -126.36 -43.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -148.45 150.43 33.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.428 1.08 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.74 131.72 2.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 110.269 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.36 -152.08 5.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 4.6 m -108.37 164.76 12.04 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 tt -165.36 175.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.58 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.5 p-10 -109.05 -39.25 5.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.413 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 58.1 t -135.08 128.99 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.09 119.49 56.01 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 108.339 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 23.0 Cg_exo -61.37 171.5 4.17 Favored 'Trans proline' 0 CA--C 1.567 2.151 0 N-CA-C 120.101 3.077 . . . . 0.0 120.101 164.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -75.14 126.42 30.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 46' ' ' SER . 40.9 t30 -75.41 165.44 25.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.423 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 86.8 p -127.29 -179.55 4.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.024 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.9 -21.13 20.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.407 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -86.37 -27.1 24.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 14.5 t -131.19 160.32 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -122.16 117.68 26.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.55 ' CE2' ' HE3' ' A' ' 24' ' ' MET . 6.3 m-85 -93.85 106.08 18.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.074 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.23 99.34 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 88.8 m -94.32 154.89 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.346 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.42 173.35 16.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.487 ' O ' HD11 ' A' ' 1' ' ' LEU . 6.0 p30 -135.91 20.31 3.26 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.494 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 41.6 p -105.08 140.35 38.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 1.146 . . . . 0.0 110.351 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -62.7 123.39 18.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.481 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 21.0 mtp180 70.52 38.54 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.263 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.9 p -76.43 -38.66 55.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 108.266 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.457 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 35.4 p-10 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -103.54 119.04 38.12 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -117.01 149.08 40.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 108.297 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -95.33 158.83 15.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.564 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -87.19 -156.82 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.495 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 6.3 tp -50.66 -30.61 14.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.5 HG12 HG22 ' A' ' 9' ' ' ILE . 77.5 t -111.18 132.32 21.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -60.51 55.05 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.082 3.07 . . . . 0.0 120.082 162.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.5 HG22 HG12 ' A' ' 7' ' ' VAL . 6.5 tp -143.08 -51.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.564 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -97.94 126.69 43.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.221 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -146.77 152.74 39.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -136.1 -176.94 4.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -85.32 119.23 25.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.8 m -67.65 104.61 0.69 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 108.259 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -58.26 -174.88 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.193 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -167.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -54.92 125.95 22.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.89 -40.05 2.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.088 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -116.41 99.11 6.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.41 ' O ' HD13 ' A' ' 1' ' ' LEU . 50.8 t30 -118.44 23.97 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 50.6 mt -129.22 140.74 51.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.462 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.7 m -112.5 129.93 56.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.351 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 3.5 p90 -128.07 166.64 18.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -145.96 120.88 9.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.585 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 36.3 mtm -89.38 127.48 35.82 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.632 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 55.3 m-85 -113.2 112.8 24.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.698 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.1 tmm? -85.02 156.82 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.23 -80.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.154 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.9 m -140.01 133.78 30.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -76.57 -25.81 54.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.5 mt -42.28 -28.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 29' ' ' ASP . 80.5 p -105.72 173.38 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.93 149.19 18.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.632 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 60.2 Cg_endo -65.54 -172.04 0.23 Allowed 'Trans proline' 0 CA--C 1.567 2.158 0 N-CA-C 120.112 3.082 . . . . 0.0 120.112 -177.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.698 HG11 ' HB2' ' A' ' 26' ' ' MET . 15.6 m -123.06 -41.8 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.28 155.87 43.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.495 ' CZ ' ' O ' ' A' ' 6' ' ' LEU . 4.0 ptp180 -167.08 134.28 2.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.365 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.43 -159.15 9.86 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.449 1.093 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 4.0 m -105.12 165.66 10.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 tt -165.57 175.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -111.98 -35.71 5.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.42 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 56.5 t -135.62 128.71 47.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.68 119.31 56.29 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 108.317 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 17.0 Cg_exo -64.5 161.77 33.7 Favored 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.06 3.061 . . . . 0.0 120.06 164.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.19 125.54 29.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.454 ' ND2' ' HA ' ' A' ' 50' ' ' LYS . 45.0 t30 -75.86 165.2 25.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.6 p -114.35 -176.44 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.017 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -92.08 -2.2 56.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.452 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -108.93 -22.28 12.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 50' ' ' LYS . 19.5 t -127.46 167.0 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -136.92 108.32 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.8 m-85 -84.6 135.76 34.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 11.1 t -129.39 97.14 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.2 m -93.94 151.79 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.289 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.76 170.98 20.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 108.356 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -131.07 26.04 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 73.1 p -111.85 138.38 48.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 110.388 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 1' ' ' LEU . 13.5 m-20 -61.32 120.14 9.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 72.94 40.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.322 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 2.9 p -75.72 -35.95 60.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 108.327 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 42.1 p-10 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.523 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -110.69 114.18 27.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.407 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 5.5 m -109.59 146.96 33.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 108.297 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -106.39 163.82 12.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -87.46 -159.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.362 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tt -50.0 -33.03 16.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.1 t -113.69 127.53 26.72 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -60.15 41.07 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.137 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 164.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.866 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -115.89 -33.02 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.418 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -128.38 132.76 48.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -152.57 155.61 37.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.69 -173.74 3.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -86.24 124.03 32.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.407 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.407 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 91.8 m -68.5 104.1 0.64 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 108.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -58.88 -175.08 0.08 OUTLIER 'Trans proline' 0 CA--C 1.569 2.238 0 N-CA-C 120.085 3.071 . . . . 0.0 120.085 -164.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -55.1 125.34 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.72 -38.76 3.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -114.88 106.24 13.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.523 ' O ' HD13 ' A' ' 1' ' ' LEU . 56.3 t30 -120.42 10.9 11.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 87.3 mt -118.45 141.52 48.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.441 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -115.22 126.82 55.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.603 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 7.8 p90 -122.74 163.47 20.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -146.05 113.76 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.2 mpp? -89.99 129.25 36.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.672 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 46.2 m-85 -112.44 121.81 45.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.682 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.5 tmm? -84.38 154.8 22.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 62.05 -69.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.6 m -150.04 150.44 31.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.056 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.3 OUTLIER -94.65 -22.18 18.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.9 mt -45.68 -26.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 29' ' ' ASP . 71.8 p -101.62 -157.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.19 148.14 46.74 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.672 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 58.2 Cg_endo -64.66 -173.52 0.24 Allowed 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 -175.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' A' ' 26' ' ' MET . 4.8 m -122.01 -43.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -149.07 153.11 37.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.437 ' HB3' ' CB ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -165.89 134.79 3.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.51 -158.65 8.79 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.825 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 6.6 m -102.4 163.49 12.2 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 tt -163.49 174.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.23 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -110.62 -35.9 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.431 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 55.4 t -137.11 127.55 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.97 117.72 38.76 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 0.0 108.343 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 22.0 Cg_exo -62.37 171.87 4.92 Favored 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.119 3.084 . . . . 0.0 120.119 166.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -75.35 126.64 31.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 46' ' ' SER . 38.9 t30 -75.39 165.04 25.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.546 ' C ' HD13 ' A' ' 47' ' ' LEU . 86.2 p -123.4 178.88 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.816 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -90.65 -16.42 28.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.369 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -91.42 -32.1 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.463 HG22 ' HG2' ' A' ' 26' ' ' MET . 21.0 t -123.77 165.62 20.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.609 1.193 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 49' ' ' VAL . 9.5 tptt -127.2 113.61 16.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.9 m-85 -89.29 103.12 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.17 101.5 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 84.2 m -94.08 152.98 18.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 108.263 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.47 167.92 28.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.473 ' C ' HD21 ' A' ' 1' ' ' LEU . 18.4 p-10 -130.56 24.16 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 11.2 p -106.55 136.5 46.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 15.8 m-20 -62.21 118.86 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER 77.24 35.26 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 56' ' ' THR . 4.7 p -75.83 -36.77 59.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.168 . . . . 0.0 108.276 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 55.0 p30 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -107.24 111.86 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 m -110.81 147.13 35.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -99.84 163.31 12.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -87.81 -162.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tt -49.42 -25.92 2.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.513 HG12 HG22 ' A' ' 9' ' ' ILE . 78.1 t -113.77 126.58 27.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.67 48.62 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.155 0 N-CA-C 120.109 3.08 . . . . 0.0 120.109 163.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.513 HG22 HG12 ' A' ' 7' ' ' VAL . 6.8 tp -131.65 -46.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.452 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -108.85 129.36 55.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -149.35 152.12 35.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -134.73 -173.73 3.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.78 124.48 31.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.8 m -68.38 107.32 1.86 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 108.274 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -59.41 -174.78 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.223 0 N-CA-C 120.074 3.067 . . . . 0.0 120.074 -165.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.5 128.91 34.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.83 -38.67 3.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.15 106.72 15.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.418 ' O ' HD13 ' A' ' 1' ' ' LEU . 12.5 t-20 -123.15 15.14 9.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 91.4 mt -122.59 142.71 50.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.446 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -112.05 136.33 51.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 108.29 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.603 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 2.6 p90 -135.45 160.24 39.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 22.5 pttt -145.89 113.33 6.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.9 mpp? -88.82 134.66 33.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.614 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 32.1 m-85 -118.35 120.14 36.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.08 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.727 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.1 tmm? -87.2 154.47 20.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.2 mtt 61.39 -72.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.7 m -145.63 144.91 30.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -91.04 -21.71 21.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.087 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.7 mt -43.47 -27.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.422 ' N ' ' C ' ' A' ' 29' ' ' ASP . 43.3 p -108.17 -178.68 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 110.463 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.52 143.25 98.56 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.234 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.614 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.3 Cg_endo -65.26 -166.3 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.146 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -171.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.727 HG11 ' HB2' ' A' ' 26' ' ' MET . 3.1 m -117.68 -45.34 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.083 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -147.62 153.3 39.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.431 ' HD3' ' ND2' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -166.22 131.88 2.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.8 -153.9 6.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 6.7 m -106.12 165.77 10.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 tt -165.4 174.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -109.95 -34.68 6.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.418 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 65.9 t -141.38 128.2 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.92 119.95 62.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 108.346 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 20.7 Cg_exo -62.73 174.56 2.84 Favored 'Trans proline' 0 CA--C 1.568 2.205 0 N-CA-C 120.13 3.088 . . . . 0.0 120.13 164.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.55 128.52 35.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 46' ' ' SER . 40.9 t30 -75.68 165.66 24.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.441 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 79.4 p -123.25 178.13 5.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -23.21 20.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -86.74 -26.82 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.609 HG22 ' HG2' ' A' ' 26' ' ' MET . 25.1 t -126.53 163.43 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 49' ' ' VAL . 2.7 tttt -127.02 114.97 18.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.562 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.5 m-85 -90.71 110.02 21.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.405 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 2.5 t -109.88 96.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 87.1 m -94.66 152.81 18.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 108.305 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -155.34 170.56 21.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 108.334 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 -133.02 30.18 4.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.491 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.3 p -114.53 140.44 48.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' OD1' ' HA ' ' A' ' 1' ' ' LEU . 21.3 m-20 -62.6 122.64 16.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 69.45 37.89 1.9 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.223 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 56' ' ' THR . 5.0 p -75.63 -37.31 59.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.303 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.457 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 39.4 p-10 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.919 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -105.48 105.58 15.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 m -100.93 146.99 26.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 108.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.6 OUTLIER -100.14 172.2 7.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.499 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 3.9 mttp -92.17 -158.26 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 tp -49.74 -38.56 34.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.9 t -106.27 133.57 20.17 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.68 58.93 0.12 Allowed 'Trans proline' 0 CA--C 1.569 2.227 0 N-CA-C 120.086 3.072 . . . . 0.0 120.086 162.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.812 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -133.84 -44.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.62 141.67 47.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -154.17 153.93 32.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.68 178.83 6.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.76 119.37 25.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.9 m -70.4 105.81 1.39 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.185 . . . . 0.0 108.324 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -59.89 -174.85 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.157 0 N-CA-C 120.146 3.095 . . . . 0.0 120.146 -168.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -54.94 128.31 32.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 110.23 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.06 -42.65 1.84 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -116.71 98.21 6.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.919 ' O ' HD13 ' A' ' 1' ' ' LEU . 26.1 t30 -115.58 18.32 15.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.4 mt -122.67 144.68 48.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.451 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -116.07 139.77 49.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 108.286 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.532 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 3.1 p90 -140.9 163.05 33.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -145.51 124.58 12.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.22 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.54 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -92.42 130.13 38.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.69 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.0 m-85 -115.4 118.23 32.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.729 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -86.5 156.54 20.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.3 mtp 57.3 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.6 m -138.17 143.19 40.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.077 . . . . 0.0 110.012 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -89.45 -23.33 22.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.3 mt -43.16 -27.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.243 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.416 ' N ' ' C ' ' A' ' 29' ' ' ASP . 69.0 p -107.1 177.32 4.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.557 1.161 . . . . 0.0 110.436 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.8 149.14 23.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.69 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.0 Cg_endo -65.16 -172.36 0.22 Allowed 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.729 HG11 ' HB2' ' A' ' 26' ' ' MET . 3.6 m -119.56 -44.47 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -149.43 162.06 40.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.507 ' CZ ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -166.19 163.68 17.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.351 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' HA2' ' NH1' ' A' ' 36' ' ' ARG . . . 175.98 -171.92 44.94 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.415 1.072 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -94.8 165.69 12.35 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 tt -165.47 174.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -112.52 -31.67 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.425 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 77.8 t -139.41 127.8 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 t -64.66 119.09 54.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 21.3 Cg_exo -62.37 169.07 8.57 Favored 'Trans proline' 0 CA--C 1.567 2.15 0 N-CA-C 120.153 3.097 . . . . 0.0 120.153 165.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -74.28 125.04 27.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -75.57 165.73 24.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.219 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 p -122.99 -167.55 1.61 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 109.911 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.5 -36.76 9.08 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -78.93 -7.87 58.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 t -142.44 163.4 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.241 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -133.01 123.25 25.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.54 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.7 m-85 -99.01 121.81 41.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 t -119.49 98.62 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.4 m -94.29 150.07 20.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 108.329 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.96 171.21 20.08 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.124 . . . . 0.0 108.336 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.745 ' C ' HD21 ' A' ' 1' ' ' LEU . 2.5 p30 -133.92 24.58 3.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.493 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.2 p -107.01 138.63 42.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.364 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -62.71 120.68 11.7 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mtm-85 74.0 36.33 0.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 56' ' ' THR . 4.4 p -76.36 -32.73 58.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 108.341 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.417 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 37.6 p-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.705 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 14.0 mtmm -106.95 120.61 42.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.6 m -112.37 152.98 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.421 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 3.0 m-20 -101.96 168.03 9.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.529 ' HD2' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -93.27 -160.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.514 HD21 ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -51.35 -35.88 40.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.699 HG12 HG22 ' A' ' 9' ' ' ILE . 68.2 t -104.08 131.08 22.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -59.94 52.77 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.199 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 163.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.699 HG22 HG12 ' A' ' 7' ' ' VAL . 4.0 tp -137.71 -46.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.529 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . . . -103.72 130.7 51.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.421 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 48.2 p90 -155.49 144.52 20.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -134.62 -171.44 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.66 128.88 34.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.389 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.3 m -64.99 117.24 37.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -59.26 -174.92 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.134 3.09 . . . . 0.0 120.134 -169.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -55.15 112.02 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.256 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.44 -38.44 3.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 38' ' ' CYS . 2.0 mttt -105.19 110.75 23.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -118.36 -25.63 6.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.436 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 6.2 mt -94.23 151.86 19.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.458 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -115.36 149.21 38.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 108.259 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.584 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 2.9 p90 -145.33 160.19 41.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HB3' ' CB ' ' A' ' 36' ' ' ARG . 3.4 pttt -145.94 116.21 7.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.064 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -92.28 131.51 37.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.667 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 36.2 m-85 -112.66 123.6 50.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.67 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.2 tmm? -83.54 156.01 23.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.3 mmt 55.08 -82.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.3 m -127.59 148.9 50.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -100.61 -19.61 16.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.244 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.6 mt -45.27 -26.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 29' ' ' ASP . 60.4 p -106.31 -168.76 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.378 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.94 150.16 98.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.667 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.9 Cg_endo -65.95 -171.68 0.23 Allowed 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.151 3.097 . . . . 0.0 120.151 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.67 HG11 ' HB2' ' A' ' 26' ' ' MET . 6.4 m -121.42 -43.58 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.87 155.8 41.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 6' ' ' LEU . 4.3 ptp180 -165.4 136.31 3.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.17 -159.69 8.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.432 ' CB ' ' HB3' ' A' ' 18' ' ' LYS . 22.0 m -106.05 163.02 13.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.5 tt -163.35 172.74 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -112.11 -28.32 8.03 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.429 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 59.8 t -142.95 127.06 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.4 t -64.07 118.47 46.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 108.312 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 16.8 Cg_exo -64.7 173.15 5.92 Favored 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.143 3.094 . . . . 0.0 120.143 165.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -75.22 126.93 32.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 46' ' ' SER . 34.3 t30 -75.1 165.11 25.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 59.5 p -121.55 -179.23 4.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.79 -20.73 20.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.074 . . . . 0.0 109.313 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -86.4 -31.14 21.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 50' ' ' LYS . 18.7 t -126.6 165.01 25.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' N ' HG12 ' A' ' 49' ' ' VAL . 3.2 tttp -126.57 114.9 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.39 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.574 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.2 m-85 -87.35 113.5 23.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.455 HG21 ' CE1' ' A' ' 25' ' ' PHE . 4.2 t -113.74 99.15 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.9 m -94.42 152.07 18.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 108.318 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.68 172.33 18.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.26 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.705 ' C ' HD21 ' A' ' 1' ' ' LEU . 23.8 p-10 -135.86 25.71 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.7 p -108.07 137.39 46.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.496 1.122 . . . . 0.0 110.381 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -61.9 118.16 6.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 75.86 37.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.24 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.7 p -75.76 -34.29 60.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.284 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 34.7 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -104.42 111.97 24.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.0 m -107.76 150.46 26.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 108.281 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -101.15 167.16 10.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.645 ' HD2' ' HB3' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -91.52 -154.42 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.1 tp -49.97 -41.9 47.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.2 t -106.82 139.34 20.28 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -60.75 49.7 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.199 0 N-CA-C 120.13 3.089 . . . . 0.0 120.13 162.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 10' ' ' ALA . 7.3 tp -129.1 -49.21 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.645 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . . . -104.15 130.15 51.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.639 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 43.0 p90 -154.17 146.6 23.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -133.23 -175.46 3.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -86.15 123.31 31.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.453 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.1 m -69.56 109.68 5.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 108.347 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -59.04 -174.84 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.149 0 N-CA-C 120.03 3.05 . . . . 0.0 120.03 -168.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -54.85 129.17 36.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.223 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.43 -39.21 2.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.442 1.089 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.51 107.74 15.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.545 ' O ' HD13 ' A' ' 1' ' ' LEU . 41.5 t30 -127.29 14.14 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 81.1 mt -119.43 139.81 51.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.476 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -109.76 140.18 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 108.361 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.611 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.1 p90 -139.06 159.88 41.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -145.44 114.19 6.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.611 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -91.63 133.77 35.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.682 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 51.3 m-85 -115.88 123.99 49.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.666 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -84.34 154.05 23.12 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 111.08 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 63.08 -67.6 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.7 m -152.06 151.94 31.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.963 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -89.98 -25.63 20.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.0 mt -45.27 -26.04 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.403 ' N ' ' C ' ' A' ' 29' ' ' ASP . 60.4 p -103.33 178.32 4.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.108 . . . . 0.0 110.388 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.47 148.16 98.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.682 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 57.8 Cg_endo -64.46 -172.97 0.2 Allowed 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.165 3.102 . . . . 0.0 120.165 -174.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.666 HG11 ' HB2' ' A' ' 26' ' ' MET . 7.9 m -124.66 -44.55 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -144.34 151.59 39.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.68 132.51 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.406 1.066 . . . . 0.0 110.351 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.17 -163.9 13.38 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 4.2 m -96.06 166.14 11.91 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 tt -165.06 175.39 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -111.18 -35.39 5.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.416 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 59.2 t -140.08 128.43 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.96 119.52 55.79 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.463 1.102 . . . . 0.0 108.224 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 22.1 Cg_exo -61.83 169.76 6.81 Favored 'Trans proline' 0 CA--C 1.568 2.201 0 N-CA-C 120.139 3.092 . . . . 0.0 120.139 164.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -75.15 126.07 30.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 49' ' ' VAL . 44.9 t30 -75.43 165.86 24.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' VAL . 59.8 p -129.32 178.76 6.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.971 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.508 ' H ' HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -88.06 -19.75 26.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.37 -38.85 21.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.497 HG22 ' HG2' ' A' ' 26' ' ' MET . 23.8 t -122.96 162.1 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -123.73 116.5 23.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.58 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.6 m-85 -90.85 116.33 28.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.2 t -114.9 98.34 6.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 90.1 m -94.81 150.33 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.269 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.55 168.72 25.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 108.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -131.25 29.79 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.5 p -112.11 135.98 52.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.04 118.25 7.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.639 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 11.5 mtp180 76.39 36.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 56' ' ' THR . 2.6 p -76.03 -32.67 59.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 40.1 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.626 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 9.2 mttt -104.46 117.72 34.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.6 m -113.63 152.04 30.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -102.83 168.47 9.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 -160.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.513 ' O ' ' CZ ' ' A' ' 36' ' ' ARG . 5.3 tp -55.53 -23.77 28.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.233 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.4 t -114.96 119.23 39.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -57.51 47.56 0.05 OUTLIER 'Trans proline' 0 CA--C 1.569 2.246 0 N-CA-C 120.086 3.072 . . . . 0.0 120.086 166.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.08 -44.68 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.58 134.85 52.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -155.21 149.21 25.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 14.9 ptpt -133.75 -173.84 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.61 126.43 33.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.373 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.0 m -66.42 108.16 2.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 108.253 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -61.92 -174.75 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.168 0 N-CA-C 120.096 3.076 . . . . 0.0 120.096 -172.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -55.28 116.17 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.247 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.99 -35.93 3.62 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -128.08 111.86 13.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -114.24 -22.72 9.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 8.7 mt -95.09 155.65 16.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.452 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 m -116.99 147.41 42.33 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.492 1.12 . . . . 0.0 108.359 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.57 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 5.9 p90 -143.76 159.46 42.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.597 1.185 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.477 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -145.84 113.99 6.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.362 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.57 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -89.42 132.58 34.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.628 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 47.5 m-85 -115.22 119.34 36.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.711 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.2 tmm? -84.51 154.07 22.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 111.014 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 61.0 -72.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.4 m -141.63 154.61 45.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.26 -22.47 14.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.1 mt -45.8 -25.86 0.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.8 p -106.02 -175.66 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 110.418 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.0 146.24 98.11 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.5 Cg_endo -65.25 -167.63 0.1 Allowed 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.061 3.062 . . . . 0.0 120.061 -173.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.711 HG11 ' HB2' ' A' ' 26' ' ' MET . 3.3 m -120.83 -44.22 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -147.12 154.08 40.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.513 ' CZ ' ' O ' ' A' ' 6' ' ' LEU . 3.6 ptp180 -165.79 131.14 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.46 -155.34 6.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.1 m -108.27 159.71 16.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 tt -160.48 177.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -114.25 -35.71 4.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 55.0 t -137.06 128.12 41.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -64.14 119.12 52.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 108.342 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 20.8 Cg_exo -62.75 172.29 4.85 Favored 'Trans proline' 0 CA--C 1.567 2.135 0 N-CA-C 120.143 3.093 . . . . 0.0 120.143 164.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -75.21 126.3 30.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 46' ' ' SER . 37.3 t30 -75.25 165.25 25.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.424 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 66.5 p -121.3 178.07 4.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.973 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.34 -16.01 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -94.3 -24.44 17.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.499 HG22 ' HG2' ' A' ' 26' ' ' MET . 23.5 t -130.06 165.16 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' N ' HG12 ' A' ' 49' ' ' VAL . 6.2 tptt -127.4 116.17 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.502 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.3 m-85 -91.77 100.78 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 t -102.19 100.06 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.52 152.65 18.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.152 . . . . 0.0 108.233 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.49 169.58 23.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 108.303 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.626 ' C ' HD21 ' A' ' 1' ' ' LEU . 3.5 p30 -132.94 23.18 4.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.9 p -104.95 137.46 42.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.401 1.063 . . . . 0.0 110.403 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -62.22 119.26 8.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 74.66 37.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.9 p -76.05 -36.06 59.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 108.292 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.477 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 36.1 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.17 114.34 28.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -109.4 151.2 26.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.333 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -101.26 162.34 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -86.11 -158.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -50.05 -39.47 42.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.693 HG12 HG22 ' A' ' 9' ' ' ILE . 55.3 t -102.99 133.5 20.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -60.58 56.03 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.199 0 N-CA-C 120.113 3.082 . . . . 0.0 120.113 162.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.693 HG22 HG12 ' A' ' 7' ' ' VAL . 7.6 tp -138.07 -56.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.524 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -97.3 129.65 44.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.652 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 51.5 p90 -151.71 149.21 28.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -134.71 -175.85 4.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.01 128.85 34.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.415 1.072 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.0 m -74.24 110.42 9.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 108.264 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -60.33 -175.08 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.209 0 N-CA-C 120.154 3.098 . . . . 0.0 120.154 -170.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.07 124.4 16.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.355 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.9 -43.6 1.67 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.87 109.25 18.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.823 ' O ' HD13 ' A' ' 1' ' ' LEU . 64.2 t30 -127.05 19.11 7.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 10.9 mt -126.33 136.01 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -106.26 131.0 54.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 4.8 p90 -129.97 164.65 23.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -146.12 112.9 6.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.414 1.071 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.547 ' O ' HG22 ' A' ' 34' ' ' VAL . 19.2 mtp -84.73 128.72 34.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.641 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 72.1 m-85 -112.34 116.98 31.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.799 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -87.99 158.99 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.384 1.053 . . . . 0.0 111.003 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 54.95 -83.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.6 m -137.22 127.03 25.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.98 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -71.7 -22.93 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.9 mt -42.74 -27.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.426 ' N ' ' C ' ' A' ' 29' ' ' ASP . 68.0 p -106.65 176.37 5.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.416 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.08 148.43 29.45 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.641 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 58.4 Cg_endo -64.41 -172.11 0.18 Allowed 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.166 3.102 . . . . 0.0 120.166 -177.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.799 HG11 ' HB2' ' A' ' 26' ' ' MET . 6.5 m -121.81 -41.97 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -145.05 152.33 39.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.95 129.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 110.267 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.81 -156.59 8.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.561 1.163 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 5.2 m -101.99 163.56 12.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 tt -165.31 177.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -113.8 -36.29 4.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.405 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 12.6 p -132.92 132.07 59.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -64.75 119.85 61.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 108.311 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.561 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 31.2 Cg_exo -57.9 163.29 9.66 Favored 'Trans proline' 0 CA--C 1.567 2.129 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 165.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -75.46 141.16 43.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.452 ' OD1' ' HB2' ' A' ' 51' ' ' TYR . 4.1 m-20 -73.82 -173.88 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.428 ' OG ' HG23 ' A' ' 49' ' ' VAL . 78.1 p -150.25 -178.34 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.539 HD23 ' C ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -97.68 -2.78 40.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.483 ' C ' ' CG2' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -128.49 7.22 5.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.383 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.483 ' CG2' ' C ' ' A' ' 48' ' ' LEU . 1.4 t -153.31 163.78 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.07 118.35 8.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 43' ' ' PRO . 11.8 m-85 -92.82 128.62 38.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 6.4 t -121.63 96.12 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 45.0 m -93.78 153.04 18.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.294 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.98 173.72 16.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.304 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.533 ' O ' HD21 ' A' ' 1' ' ' LEU . 25.5 p-10 -131.2 22.28 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 41.1 p -107.75 138.08 44.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -61.21 120.61 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.652 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 23.2 mtp180 71.73 40.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.348 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.2 p -75.6 -35.64 60.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.277 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 44.7 p30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.642 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -107.88 110.08 21.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.1 m -106.2 149.18 27.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.076 . . . . 0.0 108.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -104.67 166.75 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -160.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tp -49.67 -33.07 14.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.601 1.188 . . . . 0.0 109.275 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 63.3 t -112.82 123.35 33.95 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -58.71 42.13 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.078 3.068 . . . . 0.0 120.078 166.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.749 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -116.94 -33.32 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.47 130.45 49.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 5.5 p90 -148.81 157.01 43.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.964 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.02 -177.61 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.86 125.29 32.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.558 1.161 . . . . 0.0 110.449 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.6 m -75.15 106.45 2.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 108.346 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -61.32 -175.03 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.177 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 -168.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -55.49 120.23 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.46 -41.56 1.96 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -124.65 104.53 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.802 . . . . 0.0 109.212 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.521 ' O ' HD13 ' A' ' 1' ' ' LEU . 16.4 t30 -118.63 21.79 12.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 91.9 mt -127.27 135.85 51.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.464 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -107.23 126.21 52.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.3 p90 -124.34 160.36 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HB3' ' CB ' ' A' ' 36' ' ' ARG . 7.5 pttt -145.18 111.79 5.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.592 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.3 mpp? -84.69 133.4 34.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 7.0 m-85 -117.96 116.81 27.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.719 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -86.77 155.47 20.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.95 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.47 ' C ' ' O ' ' A' ' 26' ' ' MET . 0.2 OUTLIER 30.45 87.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.8 m 65.65 139.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -103.03 -12.39 17.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.8 mt -45.08 -26.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' ASP . 36.1 p -102.07 177.43 4.89 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.579 1.175 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.72 140.07 96.16 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.589 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 38.4 Cg_endo -58.32 -170.03 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 120.106 3.079 . . . . 0.0 120.106 -171.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.719 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.4 m -114.44 -46.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.29 156.62 43.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.408 ' CB ' ' HB3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -166.09 128.93 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.09 -154.91 6.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 3.9 m -106.29 164.12 12.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.5 tt -165.49 175.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.443 ' OD2' HG23 ' A' ' 41' ' ' VAL . 9.1 p-10 -104.63 -36.72 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.357 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.443 HG23 ' OD2' ' A' ' 40' ' ' ASP . 94.0 t -141.36 141.24 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.49 119.1 53.89 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 108.25 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 24.1 Cg_exo -60.7 -170.62 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.126 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 166.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -176.46 3.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -163.87 140.56 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.1 p -114.44 -172.66 2.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.22 -11.05 53.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.75 -36.2 17.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.2 t -120.37 167.26 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -137.29 107.2 6.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.588 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 6.3 m-85 -85.2 93.57 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.6 t -90.47 100.95 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 98.7 m -94.48 153.15 18.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 108.272 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -154.91 170.85 20.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 108.224 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.642 ' C ' HD21 ' A' ' 1' ' ' LEU . 29.6 p-10 -134.92 22.77 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 15.3 p -105.75 137.41 43.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 10.4 m-20 -62.32 118.21 7.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.41 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 3.3 mtt180 77.48 35.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.5 p -75.91 -36.97 59.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 48.2 p30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -109.47 116.82 32.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -112.07 142.93 43.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 108.247 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -96.1 165.01 12.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.593 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -88.11 -163.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 34' ' ' VAL . 4.5 tp -49.29 -27.8 4.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.2 t -110.13 131.48 21.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -61.47 57.21 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.136 0 N-CA-C 120.071 3.066 . . . . 0.0 120.071 162.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -145.35 -50.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.365 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.593 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -99.59 126.98 45.68 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -148.79 161.5 41.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 111.048 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -145.23 -177.1 5.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.431 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -84.7 123.73 30.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.377 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.2 m -70.37 104.12 0.77 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 108.321 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -60.07 -174.85 0.1 OUTLIER 'Trans proline' 0 CA--C 1.568 2.186 0 N-CA-C 120.231 3.127 . . . . 0.0 120.231 -165.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -54.88 125.91 22.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.48 -43.9 1.58 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -111.95 101.66 9.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.372 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.457 ' O ' HD13 ' A' ' 1' ' ' LEU . 11.6 t-20 -118.06 23.56 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.425 1.078 . . . . 0.0 109.356 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 40' ' ' ASP . 53.5 mt -129.88 139.34 51.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.1 m -109.57 131.03 55.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 108.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.527 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 3.4 p90 -130.42 161.73 30.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HG3' ' HB ' ' A' ' 52' ' ' VAL . 23.5 pttt -145.69 110.77 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.597 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -84.46 131.29 34.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.886 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 34.6 m-85 -115.4 119.27 35.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.793 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -85.44 155.94 21.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.9 mtp 59.06 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.8 m -140.67 145.31 36.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 1.077 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -90.79 -23.85 20.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.2 mt -42.71 -27.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.225 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 29' ' ' ASP . 53.8 p -108.45 177.85 4.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.36 144.73 77.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.559 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 61.3 Cg_endo -66.37 -165.98 0.1 Allowed 'Trans proline' 0 CA--C 1.567 2.163 0 N-CA-C 120.166 3.102 . . . . 0.0 120.166 -175.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.793 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.4 m -118.42 -46.92 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.53 156.04 42.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' NE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.03 135.82 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.7 -156.74 8.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.76 164.19 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 tt -165.43 175.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' O ' HD12 ' A' ' 20' ' ' LEU . 7.3 t70 -108.42 -32.58 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.426 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 2.5 p -141.66 141.63 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.8 t -64.56 116.43 28.62 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.279 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.575 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 39.6 Cg_exo -57.12 -165.52 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.14 3.092 . . . . 0.0 120.14 170.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -176.43 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.09 129.8 2.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 49' ' ' VAL . 36.6 p -121.04 -171.33 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.938 ' O ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -91.06 -24.75 19.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.555 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -78.01 -26.42 48.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 2.0 t -128.88 167.76 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -140.34 118.61 12.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.597 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 9.3 m-85 -97.93 96.47 8.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.41 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 2.2 t -91.2 99.29 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 75.1 m -94.9 150.39 20.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 108.312 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.93 171.02 20.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 108.268 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -135.02 27.82 3.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.508 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 17.4 p -112.8 141.67 46.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -63.11 123.6 19.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 70.54 36.49 1.67 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.403 1.064 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 56' ' ' THR . 5.7 p -76.28 -38.7 55.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 108.279 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.421 ' ND2' ' HD3' ' A' ' 36' ' ' ARG . 40.9 p-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.45 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -107.72 114.88 29.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 m -112.14 151.2 29.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 108.272 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -99.6 163.98 12.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -90.03 -155.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 6' ' ' LEU . 2.5 tm? -50.84 -42.16 58.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.645 HG12 HG22 ' A' ' 9' ' ' ILE . 53.3 t -102.98 133.56 20.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.6 Cg_exo -60.9 56.88 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.125 0 N-CA-C 120.166 3.102 . . . . 0.0 120.166 162.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.645 HG22 HG12 ' A' ' 7' ' ' VAL . 6.5 tp -137.87 -55.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.521 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -100.54 129.22 46.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -147.28 153.48 39.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.72 -178.61 5.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -85.55 126.05 33.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.0 m -73.82 110.88 10.16 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 108.323 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -59.18 -174.79 0.08 OUTLIER 'Trans proline' 0 CA--C 1.569 2.239 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 -168.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -54.74 127.24 27.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.65 -39.4 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -109.13 88.48 2.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.449 ' O ' HD13 ' A' ' 1' ' ' LEU . 23.9 t30 -112.64 20.52 16.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.0 mt -126.31 144.48 50.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.483 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.2 m -115.39 140.2 49.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.548 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 3.0 p90 -140.88 164.41 30.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.146 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -146.04 119.29 8.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.593 ' O ' HG22 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -91.75 125.39 36.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.688 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 97.6 m-85 -110.37 118.3 35.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.606 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -88.15 156.23 19.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.478 ' C ' ' O ' ' A' ' 26' ' ' MET . 0.0 OUTLIER 31.23 84.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.1 m 65.08 139.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.47 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -103.02 -16.32 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.2 mt -42.86 -27.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.446 ' N ' ' C ' ' A' ' 29' ' ' ASP . 67.0 p -94.05 -155.89 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.425 HG23 ' HD2' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -87.26 152.12 52.25 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.688 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 57.7 Cg_endo -63.73 177.68 1.68 Allowed 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 -178.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.606 HG11 ' HB2' ' A' ' 26' ' ' MET . 12.2 m -117.64 -41.21 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HE2' ' HE1' ' A' ' 24' ' ' MET . 4.2 ptmt -151.29 154.41 36.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.455 ' NH2' ' C ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -165.55 134.52 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.53 -158.47 8.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.79 165.28 11.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 tt -163.68 176.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.233 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -112.01 -36.79 5.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.421 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 53.0 t -137.09 126.95 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.75 119.42 57.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 108.291 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 20.6 Cg_exo -63.03 172.67 4.67 Favored 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 164.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.42 127.16 32.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 46' ' ' SER . 45.3 t30 -75.28 165.86 24.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.404 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 7.6 p -124.33 -172.44 2.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 tp -97.8 -35.34 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.476 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -79.67 -6.9 58.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 2.2 t -145.38 165.97 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -132.43 125.93 31.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.431 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.5 m-85 -102.25 109.05 20.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 t -109.04 99.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 80.0 m -94.4 153.16 18.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.254 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.38 171.39 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.45 ' C ' HD21 ' A' ' 1' ' ' LEU . 11.5 p-10 -134.49 24.6 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.347 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 49.2 p -109.47 137.28 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.396 1.06 . . . . 0.0 110.455 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD1' ' HA ' ' A' ' 1' ' ' LEU . 13.7 m-20 -61.3 119.57 8.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 74.62 38.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 3.2 p -75.39 -41.43 56.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 108.281 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.471 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 40.2 p-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.771 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -108.17 116.93 32.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.9 m -113.53 148.25 36.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 108.24 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -99.26 165.84 11.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -93.45 -156.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.452 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 7.6 tt -50.18 -35.46 26.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 79.4 t -107.84 129.35 24.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -60.24 53.21 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 163.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 10' ' ' ALA . 6.0 tp -135.64 -49.5 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.444 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -104.28 132.61 50.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -151.06 154.6 37.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -133.48 -174.69 3.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.345 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.26 123.94 33.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.7 m -73.38 106.13 2.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 108.341 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -59.76 -176.2 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.089 3.073 . . . . 0.0 120.089 -168.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.15 123.66 14.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.27 -38.25 3.39 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -118.44 96.26 5.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 0.737 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.771 ' O ' HD13 ' A' ' 1' ' ' LEU . 27.3 t30 -113.51 22.64 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 96.2 mt -130.02 142.34 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 5.1 m -114.13 125.48 54.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 108.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.584 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 4.1 p90 -123.5 162.18 23.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.483 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 17.9 pttt -145.98 110.36 5.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -84.12 131.6 34.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.067 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 26.1 m-85 -115.72 121.44 42.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.798 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -87.0 152.76 22.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' A' ' 26' ' ' MET . 1.4 mmt 62.54 -67.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.559 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.0 t -146.17 156.52 43.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 109.961 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.448 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -101.64 -35.05 9.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.5 mt -40.73 -29.33 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.448 ' N ' ' C ' ' A' ' 29' ' ' ASP . 32.1 p -89.38 -152.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -103.67 139.33 20.0 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.516 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 58.1 Cg_endo -64.39 -167.04 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.106 3.079 . . . . 0.0 120.106 -164.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.798 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.3 m -118.64 -46.3 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.551 ' HE2' ' HE1' ' A' ' 24' ' ' MET . 15.1 ptmt -147.73 155.49 41.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -165.89 131.55 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.217 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.03 -153.85 6.41 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 3.9 m -107.33 164.24 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 tt -165.66 176.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -105.04 -33.25 8.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.427 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 2.6 p -143.99 144.86 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.371 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.42 116.43 28.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 0.0 108.294 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 31.5 Cg_exo -58.38 -163.7 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.198 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 169.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -67.93 -175.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.86 129.05 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.232 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.8 p -114.5 -177.02 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.943 ' O ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -88.89 -19.25 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.538 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -83.43 -32.26 26.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 2.4 t -122.28 165.58 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.75 119.39 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.577 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 7.4 m-85 -96.9 89.17 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.407 ' HB ' ' HG3' ' A' ' 23' ' ' LYS . 1.6 t -84.83 99.63 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.1 m -94.39 153.07 18.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.383 1.052 . . . . 0.0 108.347 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.82 169.26 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -132.99 28.11 4.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.257 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 68.4 p -113.72 138.71 49.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -61.85 119.04 8.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 76.42 38.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.282 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.5 p -76.02 -42.61 47.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 108.348 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.483 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 41.5 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.345 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.879 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 3.4 mttp -107.0 113.3 26.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.6 m -107.94 149.13 28.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 108.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.74 165.58 11.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.465 ' HE3' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -86.63 -156.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.223 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tt -51.08 -38.88 54.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.707 HG12 HG22 ' A' ' 9' ' ' ILE . 39.0 t -103.35 132.8 20.74 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.8 Cg_exo -60.88 59.66 0.09 OUTLIER 'Trans proline' 0 CA--C 1.566 2.111 0 N-CA-C 120.09 3.073 . . . . 0.0 120.09 162.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.707 HG22 HG12 ' A' ' 7' ' ' VAL . 8.1 tp -137.66 -56.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.523 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -101.07 136.76 40.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -153.86 150.77 28.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.065 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 3.1 mmmt -131.01 -177.99 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.59 125.15 32.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.434 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -72.52 108.37 4.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.298 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -59.81 -174.81 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.198 0 N-CA-C 120.097 3.076 . . . . 0.0 120.097 -168.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -54.8 126.04 22.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.48 -38.38 3.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -117.87 104.35 10.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 0.749 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.879 ' O ' HD13 ' A' ' 1' ' ' LEU . 34.8 t30 -123.13 15.84 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 91.4 mt -121.91 143.8 49.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.46 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.8 m -112.72 142.37 45.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 108.313 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.6 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.1 p90 -142.37 159.63 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 7.3 pttt -145.89 113.89 6.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.6 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -89.96 131.51 35.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.67 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 76.0 m-85 -113.12 123.52 50.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.797 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -87.1 154.32 20.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.604 ' HG3' ' HE2' ' A' ' 26' ' ' MET . 0.2 OUTLIER 62.91 -66.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.552 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.2 m -152.78 153.7 33.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.22 -23.71 18.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.2 mt -47.13 -25.35 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.3 p -105.11 -178.6 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.458 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.65 149.0 97.85 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.67 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.6 Cg_endo -65.71 -177.16 0.67 Allowed 'Trans proline' 0 CA--C 1.567 2.126 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 -177.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.797 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.9 m -117.15 -45.97 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -145.27 153.17 41.01 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.14 132.75 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.76 -161.2 10.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 13.6 m -98.46 164.72 12.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 tt -165.59 177.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -114.14 -34.76 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.435 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 9.5 p -136.77 129.94 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.97 115.72 21.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 108.336 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 38.0 Cg_exo -57.7 179.09 0.15 Allowed 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 170.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -75.41 128.86 36.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.491 HD22 ' N ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -75.3 158.51 32.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.491 ' N ' HD22 ' A' ' 45' ' ' ASN . 96.5 p -124.01 169.68 11.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.909 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.919 ' O ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -90.39 -18.53 25.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.459 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -94.95 -20.28 19.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 3.3 t -132.44 157.73 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.22 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' MET . 12.7 tptt -122.05 122.25 38.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.541 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 7.5 m-85 -97.16 116.72 29.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.8 t -114.63 98.71 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 99.7 m -94.5 149.9 20.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.294 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.77 172.05 18.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 108.319 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.835 ' C ' HD21 ' A' ' 1' ' ' LEU . 31.7 p-10 -134.72 23.42 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.6 p -104.84 137.05 43.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 13.3 m-20 -62.2 118.99 8.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.17 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' HG3' ' C ' ' A' ' 57' ' ' ASP . 3.0 mtm180 75.01 37.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.3 p -75.81 -36.78 59.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.339 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 42.1 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.398 1.061 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.63 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -112.03 115.19 28.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -110.93 145.77 37.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.356 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.3 m-20 -96.84 172.21 8.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.456 ' CD ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -93.82 -157.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HG ' ' NH2' ' A' ' 36' ' ' ARG . 2.2 tp -52.77 -29.43 27.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.6 t -111.74 129.82 23.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -60.55 48.53 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 163.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 10' ' ' ALA . 3.6 tp -129.62 -50.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.456 ' O ' ' CD ' ' A' ' 5' ' ' LYS . . . -105.16 128.54 53.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.638 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 43.6 p90 -150.59 154.43 37.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -137.68 -176.83 4.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.613 1.196 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.93 127.8 34.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.394 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.1 m -74.04 106.37 2.47 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 108.333 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -60.64 -174.99 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 -167.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -55.33 120.17 6.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.42 -38.57 2.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 104.61 8.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.594 ' O ' HD13 ' A' ' 1' ' ' LEU . 13.3 t-20 -117.75 20.45 13.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 95.6 mt -127.91 144.92 51.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.46 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.0 m -114.31 140.49 48.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 108.337 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 3.1 p90 -137.24 163.61 30.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.17 115.53 7.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.656 ' HE2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -88.36 130.91 35.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.425 1.078 . . . . 0.0 110.978 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.644 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 38.2 m-85 -117.2 117.18 28.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.689 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -86.72 155.25 20.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.37 -73.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 26' ' ' MET . 21.9 m -141.34 150.14 42.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.409 1.068 . . . . 0.0 110.048 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.431 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -99.58 -21.35 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.8 mt -44.14 -26.91 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.431 ' N ' ' C ' ' A' ' 29' ' ' ASP . 44.2 p -107.83 -176.21 3.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 110.361 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.84 145.45 97.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.644 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.0 Cg_endo -65.31 -169.09 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.111 3.081 . . . . 0.0 120.111 -175.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.689 HG11 ' HB2' ' A' ' 26' ' ' MET . 2.8 m -115.12 -42.47 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -147.88 158.82 44.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.421 ' NH2' ' HG ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -165.59 133.96 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.71 -153.66 6.65 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 4.0 m -110.42 164.79 12.34 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.8 tt -164.44 175.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.489 1.118 . . . . 0.0 109.23 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -107.01 -40.68 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.229 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.44 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 9.8 p -135.34 137.09 50.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.17 115.19 17.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.272 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 21.1 Cg_exo -63.01 -165.72 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.071 3.066 . . . . 0.0 120.071 170.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -74.54 -175.17 2.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -163.57 135.08 4.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.7 p -105.03 -173.68 2.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.929 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.408 HD23 ' N ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -88.97 -17.64 29.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -84.63 -28.24 26.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.235 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 2.1 t -123.85 167.69 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' H ' HG12 ' A' ' 49' ' ' VAL . 4.0 tptp -137.87 112.52 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.656 ' CE2' ' HE2' ' A' ' 24' ' ' MET . 4.7 m-85 -89.99 99.64 12.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -99.9 102.44 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 71.0 m -94.1 153.52 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.269 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -154.55 171.71 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 108.292 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.63 ' C ' HD21 ' A' ' 1' ' ' LEU . 18.4 p-10 -136.29 20.58 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.46 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 34.2 p -104.43 136.72 43.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 58' ' ' ARG . 11.4 m-20 -62.07 117.87 6.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.638 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 27.1 mtp180 78.63 36.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 56' ' ' THR . 3.2 p -76.07 -37.57 58.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' C ' ' OD1' ' A' ' 60' ' ' ASN . 38.3 p-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 13' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.69 112.25 24.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.6 m -108.32 143.68 36.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 108.237 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -97.89 174.59 6.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -94.35 -160.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -49.84 -37.65 31.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.691 HG12 HG22 ' A' ' 9' ' ' ILE . 56.1 t -102.77 131.18 22.54 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.55 57.31 0.09 OUTLIER 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.18 3.108 . . . . 0.0 120.18 163.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.691 HG22 HG12 ' A' ' 7' ' ' VAL . 8.7 tp -136.48 -56.85 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' HG23 ' A' ' 9' ' ' ILE . . . -100.92 132.83 46.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.422 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 40.4 p90 -151.37 152.28 32.9 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.13 -175.31 3.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -88.91 128.31 35.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.3 m -74.38 114.79 37.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.337 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -60.99 -179.89 0.33 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.129 3.088 . . . . 0.0 120.129 -173.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.0 122.04 12.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.92 -39.3 2.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.394 1.059 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.39 105.3 10.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -116.25 15.38 15.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 40' ' ' ASP . 18.8 mt -122.44 142.96 50.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.7 m -114.81 134.84 54.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 108.318 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.4 p90 -135.42 161.54 35.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' O ' ' CE1' ' A' ' 25' ' ' PHE . 7.4 pttt -145.76 119.5 9.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.57 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -94.53 130.04 41.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.655 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 16.3 m-85 -117.03 128.87 55.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.67 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -84.78 157.47 20.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.566 ' O ' ' CB ' ' A' ' 28' ' ' SER . 3.9 mmm 29.84 71.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.566 ' CB ' ' O ' ' A' ' 27' ' ' MET . 2.1 t 90.33 151.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.932 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.494 ' HA ' ' CB ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -110.23 -34.02 6.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' ASP . 48.5 mt -39.8 -29.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.447 ' N ' ' C ' ' A' ' 29' ' ' ASP . 47.5 p -78.14 -161.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.42 HG23 ' HD2' ' A' ' 33' ' ' PRO . 1.1 mp -96.35 146.2 30.9 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.655 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 57.3 Cg_endo -63.55 162.58 27.19 Favored 'Trans proline' 0 CA--C 1.567 2.14 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -171.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.67 HG11 ' HB2' ' A' ' 26' ' ' MET . 6.8 m -105.88 -39.53 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.087 . . . . 0.0 109.255 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.34 150.15 26.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.483 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -156.37 169.0 25.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.411 ' HA2' ' NH1' ' A' ' 36' ' ' ARG . . . 172.97 -169.08 42.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 6.1 m -96.9 165.77 11.94 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 tt -165.26 174.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.653 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.3 p-10 -108.95 -41.11 4.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 7.3 p -134.0 129.34 54.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.6 1.187 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.8 t -64.17 118.83 50.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.382 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 21.0 Cg_exo -62.71 171.82 5.34 Favored 'Trans proline' 0 CA--C 1.567 2.145 0 N-CA-C 120.066 3.064 . . . . 0.0 120.066 165.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -75.11 125.89 29.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 46' ' ' SER . 39.7 t30 -75.37 165.33 25.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.454 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 95.5 p -119.98 -174.29 2.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.23 -23.11 17.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.93 -41.19 16.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 2.6 t -114.06 164.51 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 109.222 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.37 119.23 25.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 4.8 m-85 -92.05 110.9 22.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.169 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 11.7 t -110.52 100.38 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 73.0 m -98.29 152.03 19.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 108.213 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.55 169.64 23.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -131.53 27.13 4.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.375 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.524 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 10.5 p -112.23 141.3 46.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.142 . . . . 0.0 110.352 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' OD1' ' HA ' ' A' ' 1' ' ' LEU . 21.0 m-20 -63.89 126.74 28.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' HG3' ' C ' ' A' ' 57' ' ' ASP . 13.1 mtm180 67.29 35.54 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 56' ' ' THR . 6.2 p -75.99 -26.31 56.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.3 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 52.7 p30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 109.317 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.734 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -102.44 116.5 32.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 m -112.8 143.98 43.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 108.342 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -99.09 161.09 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.43 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -85.39 -164.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.592 HD11 ' O ' ' A' ' 34' ' ' VAL . 6.5 tp -48.95 -29.17 4.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.2 t -109.96 128.14 25.89 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -60.26 56.45 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.079 3.069 . . . . 0.0 120.079 163.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.699 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -140.49 -46.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.408 ' O ' ' HD2' ' A' ' 5' ' ' LYS . . . -105.13 133.59 49.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -155.84 151.95 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -136.61 -177.18 4.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.91 119.68 25.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.5 m -66.13 104.88 0.66 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 108.28 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -60.1 -175.52 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.197 0 N-CA-C 120.113 3.082 . . . . 0.0 120.113 -166.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -54.88 126.5 24.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.269 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.13 -42.67 1.88 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.415 1.072 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -118.0 104.61 11.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.69 ' O ' HD13 ' A' ' 1' ' ' LEU . 40.3 t30 -122.4 22.72 9.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.0 mt -127.83 125.31 39.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.6 m -96.5 133.77 40.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 108.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.557 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 2.4 p90 -133.4 164.62 26.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.615 1.197 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.14 122.38 10.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.821 ' HE2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -91.86 127.46 37.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.673 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 79.1 m-85 -112.82 115.54 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.938 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.795 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -85.66 157.95 20.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.055 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.4 mmm 57.88 -79.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' MET . 19.7 m -143.6 133.54 24.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -73.68 -24.41 59.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.9 mt -43.3 -27.62 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.108 . . . . 0.0 109.217 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 29' ' ' ASP . 69.4 p -106.33 177.3 4.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.447 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.59 150.69 24.34 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.673 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 58.9 Cg_endo -64.93 -176.83 0.49 Allowed 'Trans proline' 0 CA--C 1.567 2.144 0 N-CA-C 120.107 3.08 . . . . 0.0 120.107 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.795 HG11 ' HB2' ' A' ' 26' ' ' MET . 5.4 m -119.63 -42.84 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.03 157.34 43.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' NE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -167.42 139.23 3.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.54 -166.71 23.92 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.394 1.059 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 m -95.29 166.03 12.1 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.5 tt -165.35 176.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -113.42 -36.77 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.43 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 7.5 p -133.84 130.35 55.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.7 t -67.44 119.79 68.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 108.298 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.43 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 16.3 Cg_exo -65.34 161.94 35.7 Favored 'Trans proline' 0 CA--C 1.567 2.174 0 N-CA-C 120.125 3.087 . . . . 0.0 120.125 164.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -75.32 127.41 33.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.443 ' ND2' ' HA ' ' A' ' 50' ' ' LYS . 47.7 t30 -75.11 166.3 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.584 ' C ' HD13 ' A' ' 47' ' ' LEU . 78.3 p -119.74 -174.17 2.69 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.413 1.071 . . . . 0.0 110.001 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.796 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -94.12 -6.74 44.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.497 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -106.37 -14.67 15.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.9 t -135.29 168.15 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -138.57 107.57 6.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.821 ' CE2' ' HE2' ' A' ' 24' ' ' MET . 4.4 m-85 -84.48 131.97 34.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 4.4 t -127.53 98.89 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 84.5 m -94.01 149.1 21.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.264 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -154.71 170.73 20.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 0.0 108.345 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.734 ' C ' HD21 ' A' ' 1' ' ' LEU . 5.6 p30 -133.08 22.99 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 11.8 p -105.7 137.71 43.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' C ' ' CG ' ' A' ' 58' ' ' ARG . 18.7 m-20 -61.73 119.8 9.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.423 ' CG ' ' C ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER 73.52 37.7 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 110.225 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' THR . 4.3 p -75.77 -32.53 59.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 108.327 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.425 ' C ' ' OD1' ' A' ' 60' ' ' ASN . 40.9 p-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.662 HD21 ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 13.6 mttt -110.81 113.78 26.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 m -111.58 147.57 35.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.348 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.425 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -98.89 175.34 5.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -92.96 -162.15 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.723 HD23 HG23 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -49.96 -32.42 14.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.723 HG23 HD23 ' A' ' 6' ' ' LEU . 39.2 t -107.83 132.15 21.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -61.95 60.99 0.12 Allowed 'Trans proline' 0 CA--C 1.568 2.215 0 N-CA-C 120.117 3.083 . . . . 0.0 120.117 162.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -140.4 -48.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -109.51 133.02 53.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.454 ' CE1' ' NH2' ' A' ' 58' ' ' ARG . 43.3 p90 -154.14 148.08 25.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 11.5 mmmt -132.35 -173.21 3.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER -84.68 129.82 34.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.4 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.6 m -71.82 111.59 11.07 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.499 1.124 . . . . 0.0 108.234 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -61.68 -174.92 0.14 Allowed 'Trans proline' 0 CA--C 1.567 2.173 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 -172.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -58.19 116.22 3.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.31 -39.45 2.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -120.92 111.78 17.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.245 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.495 ' O ' HD13 ' A' ' 1' ' ' LEU . 13.8 t-20 -115.35 -14.96 11.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.435 1.085 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 22.8 mt -101.04 158.61 15.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.451 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.9 m -121.07 148.96 43.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.502 1.126 . . . . 0.0 108.339 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.449 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 21.4 p90 -145.42 159.28 43.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HD3' ' CB ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -145.98 116.32 7.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.549 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -91.23 132.1 36.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.644 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 82.0 m-85 -116.16 118.97 34.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.671 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -84.62 155.93 21.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.19 -78.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.4 m -132.85 151.02 52.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.956 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -100.47 -21.66 15.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 mt -44.54 -26.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.409 ' N ' ' C ' ' A' ' 29' ' ' ASP . 62.6 p -106.22 -178.19 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.92 151.77 53.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.644 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.0 Cg_endo -64.63 -174.0 0.26 Allowed 'Trans proline' 0 CA--C 1.567 2.16 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.671 HG11 ' HB2' ' A' ' 26' ' ' MET . 4.6 m -119.69 -42.35 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -149.82 157.27 43.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -166.27 171.75 11.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.423 ' HA2' ' NH1' ' A' ' 36' ' ' ARG . . . 165.92 -166.63 38.75 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 m -99.27 154.43 18.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 tt -154.4 178.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -114.43 -39.63 3.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.42 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 55.3 t -131.98 127.71 58.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -64.47 119.17 54.46 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 108.244 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 21.9 Cg_exo -62.09 168.15 9.59 Favored 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.119 3.084 . . . . 0.0 120.119 164.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -74.14 125.29 28.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.23 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 46' ' ' SER . 38.4 t30 -75.5 164.51 26.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.454 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 85.0 p -126.26 -178.45 4.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.818 HD23 HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -90.55 -24.41 20.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.818 HD22 HD23 ' A' ' 47' ' ' LEU . 3.7 mm? -81.1 -34.91 32.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.634 HG22 ' HG2' ' A' ' 26' ' ' MET . 21.9 t -124.21 162.77 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' N ' HG12 ' A' ' 49' ' ' VAL . 12.6 tttt -125.85 117.51 23.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.549 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.8 m-85 -92.41 118.51 31.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.542 1.151 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.5 t -118.26 99.08 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 79.7 m -94.0 151.95 19.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.17 172.07 18.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 108.292 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.662 ' C ' HD21 ' A' ' 1' ' ' LEU . 36.2 p-10 -135.45 21.36 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.482 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 56.8 p -105.81 138.57 41.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 1' ' ' LEU . 22.7 m-20 -62.69 121.22 12.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.454 ' NH2' ' CE1' ' A' ' 11' ' ' TYR . 19.7 mtp180 73.83 37.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 56' ' ' THR . 2.8 p -75.72 -34.71 60.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 108.315 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 45.0 p30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 19' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -103.78 106.95 17.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 m -104.34 147.36 27.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.253 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.81 168.57 10.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.508 ' HD3' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -91.55 -157.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.412 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 4.0 tt -49.71 -38.06 31.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 42.6 t -103.87 132.34 21.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.6 Cg_exo -61.03 56.61 0.1 OUTLIER 'Trans proline' 0 CA--C 1.567 2.161 0 N-CA-C 120.189 3.111 . . . . 0.0 120.189 162.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.628 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -141.85 -47.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.508 ' HB3' ' HD3' ' A' ' 5' ' ' LYS . . . -103.77 126.06 50.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -144.98 155.93 43.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 111.06 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.92 -177.48 4.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.84 122.04 29.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.8 m -71.33 108.45 3.87 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 108.246 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -59.43 -175.78 0.1 OUTLIER 'Trans proline' 0 CA--C 1.568 2.214 0 N-CA-C 120.129 3.088 . . . . 0.0 120.129 -168.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -55.43 126.35 24.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.23 -44.22 1.55 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -112.28 98.9 7.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 0.731 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.518 ' O ' HD12 ' A' ' 1' ' ' LEU . 29.4 t30 -114.61 30.42 7.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 40' ' ' ASP . 44.1 mt -139.07 146.74 41.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.494 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 4.4 m -115.81 136.59 52.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.334 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.601 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.4 p90 -135.3 161.23 36.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' CE ' ' HA ' ' A' ' 60' ' ' ASN . 1.9 pttt -145.76 115.46 7.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.601 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 1.3 mpp? -92.53 131.75 37.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.666 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 52.4 m-85 -115.85 125.32 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.662 ' HB2' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -83.55 153.59 24.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 42.0 mmm 61.93 -66.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 26' ' ' MET . 2.1 t -145.35 160.09 42.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -102.15 -32.55 10.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.1 mt -45.57 -26.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.424 ' N ' ' C ' ' A' ' 29' ' ' ASP . 62.5 p -89.65 -156.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -94.09 148.21 34.77 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.666 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 58.0 Cg_endo -64.31 175.24 3.48 Favored 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -174.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.662 HG11 ' HB2' ' A' ' 26' ' ' MET . 12.1 m -118.55 -43.88 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 2.0 tptt -147.36 145.98 29.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.367 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -160.31 140.39 11.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.14 . . . . 0.0 110.243 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.4 -156.15 8.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 3.8 m -105.31 165.59 11.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 tt -165.65 175.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.498 ' O ' HD12 ' A' ' 20' ' ' LEU . 12.5 p-10 -111.49 -39.87 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.433 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 8.5 p -134.3 128.43 52.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.5 t -64.41 118.71 49.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 108.351 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 18.9 Cg_exo -63.53 173.04 4.78 Favored 'Trans proline' 0 CA--C 1.569 2.242 0 N-CA-C 120.11 3.081 . . . . 0.0 120.11 165.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -75.21 127.33 32.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -74.72 165.62 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.9 p -115.92 -172.58 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.939 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.87 -28.52 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.14 -38.09 19.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 50' ' ' LYS . 3.8 t -106.29 168.22 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' H ' HG12 ' A' ' 49' ' ' VAL . 8.0 tptt -133.3 113.41 12.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.58 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 5.3 m-85 -88.74 115.19 26.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 111.066 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.0 t -116.44 98.72 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 93.1 m -94.06 153.29 18.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.314 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.5 171.48 19.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -136.1 27.97 3.17 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 76.3 p -112.81 138.26 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -61.72 119.93 9.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 73.83 39.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 2.3 p -76.14 -37.32 58.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.453 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 40.2 p-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.874 HD13 ' O ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -99.96 111.04 23.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.2 m -104.31 151.21 23.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 108.328 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -101.33 160.6 14.28 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.536 ' HD2' ' HB3' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -86.49 -160.68 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.45 ' O ' ' NH1' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -50.66 -31.91 17.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.342 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.497 HG12 HG22 ' A' ' 9' ' ' ILE . 50.1 t -108.95 131.14 21.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.387 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.441 ' HG3' ' NH2' ' A' ' 36' ' ' ARG . 24.3 Cg_exo -60.44 47.88 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.195 0 N-CA-C 120.097 3.076 . . . . 0.0 120.097 163.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.497 HG22 HG12 ' A' ' 7' ' ' VAL . 9.8 tp -131.07 -48.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.536 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . . . -103.67 132.07 50.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -155.14 147.8 24.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.92 179.43 6.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.31 122.47 28.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.5 m -69.21 108.97 3.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 108.325 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -61.01 -174.54 0.11 Allowed 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.165 3.102 . . . . 0.0 120.165 -171.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -54.63 124.79 17.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.55 -39.27 2.89 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -128.22 106.46 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.797 . . . . 0.0 109.284 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.874 ' O ' HD13 ' A' ' 1' ' ' LEU . 41.8 t30 -120.06 15.4 12.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 40' ' ' ASP . 27.6 mt -120.83 147.32 45.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.471 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 3.8 m -115.97 143.37 45.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.55 1.157 . . . . 0.0 108.347 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.611 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 3.0 p90 -142.84 157.67 44.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.458 1.099 . . . . 0.0 111.04 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.51 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -142.88 116.14 8.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.593 1.183 . . . . 0.0 109.324 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.611 ' SD ' ' CE1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -91.73 135.27 34.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.646 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 27.2 m-85 -117.55 119.49 35.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.639 ' HB2' HG11 ' A' ' 34' ' ' VAL . 1.9 tmm? -83.74 153.86 23.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mmt 61.28 -73.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.4 m -139.49 154.11 47.64 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.548 1.155 . . . . 0.0 109.951 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -101.41 -22.11 14.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.5 mt -44.76 -26.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.404 ' N ' ' C ' ' A' ' 29' ' ' ASP . 55.0 p -105.85 -177.54 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mp -65.18 147.47 98.54 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.646 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 59.1 Cg_endo -65.37 -173.0 0.26 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 -175.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.639 HG11 ' HB2' ' A' ' 26' ' ' MET . 3.8 m -115.68 -43.8 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.03 154.47 42.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' NH1' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -165.82 128.98 2.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.27 -156.28 7.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.565 1.166 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 4.2 m -105.37 165.29 11.23 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 tt -165.3 176.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 109.356 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.547 ' O ' HD12 ' A' ' 20' ' ' LEU . 13.7 t70 -112.09 -40.73 4.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.43 HG23 ' OD1' ' A' ' 40' ' ' ASP . 53.5 t -135.08 129.51 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.416 1.073 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.6 t -67.79 119.66 68.04 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.329 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 18.1 Cg_exo -63.73 176.86 2.06 Favored 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 164.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 128.04 34.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 46' ' ' SER . 44.5 t30 -75.86 166.22 23.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.425 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 89.4 p -124.92 177.36 6.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.05 -22.27 20.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.421 ' O ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -84.86 -27.0 27.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 50' ' ' LYS . 19.2 t -129.05 166.91 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.462 ' N ' HG12 ' A' ' 49' ' ' VAL . 24.5 tptt -128.14 116.48 20.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.405 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 3.9 m-85 -91.27 108.1 19.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.421 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 14.8 t -107.69 97.38 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 91.0 m -95.81 148.93 22.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 108.239 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.402 ' SG ' ' NZ ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -154.19 172.85 16.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 108.246 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.615 ' C ' HD21 ' A' ' 1' ' ' LEU . 3.8 p30 -134.15 22.07 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.514 ' O ' ' HB3' ' A' ' 59' ' ' CYS . 9.7 p -103.98 139.63 38.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' C ' ' HG3' ' A' ' 58' ' ' ARG . 14.1 m-20 -63.35 124.31 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.367 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' HG3' ' C ' ' A' ' 57' ' ' ASP . 29.2 mtp180 69.17 36.17 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 56' ' ' THR . 5.0 p -76.12 -27.31 57.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 108.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.437 ' CB ' ' HD3' ' A' ' 23' ' ' LYS . 44.7 p-10 . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 stop_ save_