data_1lm2_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 1lm2 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 76.6 t -133.45 70.02 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 10.0 109.257 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 5' ' ' THR . 73.8 t -53.55 144.03 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 10.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.418 ' N ' HG13 ' A' ' 4' ' ' VAL . 32.7 m -136.5 143.71 43.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 110.419 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -136.67 113.91 10.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 10.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.18 115.03 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -99.48 175.33 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 10.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.15 -28.66 25.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 10.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -121.92 65.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.02 -157.87 14.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.13 . . . . 10.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -152.52 156.09 38.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 10.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.481 HG13 ' CE2' ' A' ' 15' ' ' PHE . 8.0 p -128.33 66.82 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 10.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -58.29 98.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 10.0 110.396 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.481 ' CE2' HG13 ' A' ' 13' ' ' VAL . 68.4 m-85 -73.96 178.49 4.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.415 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 4.8 m-20 -146.94 133.41 19.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 10.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.92 -59.48 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 10.0 109.626 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -79.69 -50.77 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 10.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.51 -27.94 58.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 10.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.574 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -88.92 -51.29 5.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 10.0 109.612 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -40.08 -29.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 10.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 20' ' ' HIS . 2.5 mt-10 -51.98 -56.32 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 10.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.06 -47.68 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.574 HD13 ' CD2' ' A' ' 20' ' ' HIS . 6.6 mp -60.72 -101.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 10.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 128.23 35.14 0.51 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 10.0 111.064 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 64.36 -75.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.328 -0.989 . . . . 10.0 108.328 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 25' ' ' GLY . 16.7 t0 -39.37 -31.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 10.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -48.21 -37.63 16.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 m -111.0 -58.29 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 10.0 108.309 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 27' ' ' ASP . 38.6 m-70 -76.65 173.81 11.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 10.0 109.57 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.01 91.58 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.95 103.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 10.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.0 m 67.4 104.72 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 10.0 110.369 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -172.65 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 10.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 173.12 -55.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -177.63 172.08 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 10.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.469 ' O ' ' CG2' ' A' ' 37' ' ' ILE . 46.4 mt -132.97 8.04 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 10.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 37' ' ' ILE . . . 39.73 87.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 10.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.3 mm -122.18 143.16 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 10.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -172.17 -66.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.5 80.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 10.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 172.26 -49.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 10.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -92.56 -43.02 9.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 10.0 109.984 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.53 -18.56 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 10.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -100.24 4.41 44.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 10.0 109.622 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.446 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -113.12 -162.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 10.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 48' ' ' ALA . 44.8 m-20 -40.88 -29.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 10.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -39.31 -62.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 10.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 94.4 m -102.44 -64.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 10.0 108.323 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 51' ' ' THR . 0.5 OUTLIER -56.38 95.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 10.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER 171.51 -58.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 10.0 110.363 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 14.0 t -102.74 62.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 10.0 108.343 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.466 ' O ' ' N ' ' A' ' 55' ' ' SER . 15.2 m170 -148.95 -46.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 109.557 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' HG3' ' CG2' ' A' ' 60' ' ' THR . 43.7 mttt -61.85 80.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 10.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 53' ' ' HIS . 8.7 p 169.69 -50.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 10.0 109.964 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -120.25 173.47 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 7.9 t30 78.08 -66.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 10.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.94 -79.97 0.36 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 10.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.47 1.773 . . . . 10.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.473 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 47.5 m -112.52 -23.88 10.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 110.376 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -92.91 -158.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 10.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -44.74 135.8 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 108.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.44 -28.58 14.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 10.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.6 -66.04 2.31 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -87.35 -71.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.328 -0.99 . . . . 10.0 108.328 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -54.58 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 109.607 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' CYS . 11.2 tt -44.86 108.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 10.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 10.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.284 -0.635 . . . . 10.0 109.284 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -174.61 129.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 t -111.19 150.17 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 10.0 109.351 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -126.94 117.12 21.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 10.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -111.51 89.79 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 10.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -88.18 124.21 33.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 10.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.408 ' ND2' ' HA ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -130.93 -176.57 4.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 10.0 109.292 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -70.13 -66.98 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.598 1.186 . . . . 10.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -40.24 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 10.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.48 128.04 1.89 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.089 . . . . 10.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.408 ' HA ' ' ND2' ' A' ' 8' ' ' ASN . 13.5 p-10 -58.57 138.04 57.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.764 . . . . 10.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 p -119.61 80.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 10.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 15' ' ' PHE . 18.2 m -55.4 146.29 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 110.341 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.424 ' N ' HG21 ' A' ' 14' ' ' THR . 5.1 m-30 -114.13 -172.49 2.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.393 1.058 . . . . 10.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.423 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 44.7 m-20 -158.64 127.04 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 10.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.39 -41.31 6.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 10.0 109.581 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -102.77 -26.59 13.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 10.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.91 -25.93 59.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 10.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.423 ' ND1' ' HB2' ' A' ' 16' ' ' ASP . 0.6 OUTLIER -96.96 -56.84 2.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 10.0 109.607 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -39.78 -47.12 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 10.0 109.326 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' ALA . 9.2 pt-20 -37.03 -33.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 10.0 110.232 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' ALA . 12.9 mmtt -109.52 -60.39 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 10.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.7 mp -41.54 -76.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 10.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.3 14.56 6.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 10.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 74.19 -68.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.358 -0.979 . . . . 10.0 108.358 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.14 -26.58 0.49 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 10.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.75 -38.65 67.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 10.0 109.312 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.8 m -105.96 -57.13 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 10.0 108.335 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.415 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 54.1 m-70 -79.9 178.79 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 10.0 109.596 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -156.08 96.93 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 10.0 110.32 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 58.9 97.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.438 1.086 . . . . 10.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.4 m 67.63 104.42 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.425 0.721 . . . . 10.0 110.439 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.415 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -74.93 -175.32 2.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 10.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -178.35 -50.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 10.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' O ' ' CG1' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -176.64 -172.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 10.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' A' ' 36' ' ' LYS . 23.2 mt -154.0 157.64 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 10.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.36 97.55 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 10.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.8 mm -134.88 112.82 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -166.21 -64.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 10.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' LYS . 17.0 tttt -143.78 -117.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 10.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -36.65 -46.13 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 10.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 5.1 m -50.4 -63.39 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 10.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.15 -16.83 14.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.092 . . . . 10.0 109.27 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -100.4 1.2 41.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 10.0 109.626 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -107.91 -158.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 10.0 109.289 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.53 -26.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 10.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -41.39 -58.82 1.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 10.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -107.47 -73.08 0.7 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 10.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -47.24 98.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.557 1.161 . . . . 10.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.44 -72.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 10.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.6 t -93.4 64.48 3.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 10.0 108.313 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -159.36 -48.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 10.0 109.505 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -71.18 73.32 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 10.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 t -171.55 -62.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 10.0 109.971 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -97.6 -60.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -40.81 -84.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 10.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.79 -64.28 0.6 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.539 1.149 . . . . 10.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 86.96 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 10.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.5 t -105.27 4.51 31.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 10.0 110.38 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 62' ' ' CYS . 8.6 pttt -110.43 -162.97 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 10.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -52.79 154.51 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 10.0 108.315 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLY . . . 84.58 -43.54 3.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 10.0 111.004 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' GLY . . . -37.01 -85.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.029 -0.829 . . . . 10.0 111.029 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.6 p -81.75 -54.68 5.18 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.285 -1.005 . . . . 10.0 108.285 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -60.69 128.68 37.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 10.0 109.659 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.9 mt -132.34 103.66 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 10.0 109.336 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 10.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 17' ' ' HIS . 33.0 m-20 . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.9 p -85.8 144.13 10.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 10.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.2 t -125.86 39.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 m -42.21 131.6 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 10.0 110.371 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.402 ' HE2' ' CE1' ' A' ' 15' ' ' PHE . 2.2 m-85 -85.78 -173.97 4.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 10.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.26 42.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 10.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -59.91 177.95 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 10.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -99.45 7.73 45.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 10.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.569 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 0.0 OUTLIER -137.82 75.49 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 10.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.92 100.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 10.0 111.052 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -68.77 142.73 54.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.453 0.737 . . . . 10.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 m -91.47 154.81 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 10.0 109.217 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.0 m -102.75 71.39 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 10.0 110.476 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CE1' ' HE2' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -44.93 164.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 10.0 110.992 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.534 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 3.7 m-20 -150.6 116.7 5.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 10.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.491 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.2 t-80 -105.08 -50.96 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 10.0 109.566 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 2.3 tttt -89.53 -34.62 16.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 10.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.85 -36.93 84.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 10.0 109.232 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.534 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -79.23 -59.71 2.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 10.0 109.571 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.89 -30.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 10.0 109.236 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.2 mm-40 -47.34 -52.63 15.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 10.0 110.291 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -90.6 -41.59 11.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 10.0 109.276 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 mp -71.74 -108.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 10.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 138.49 40.37 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.448 1.092 . . . . 10.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 70.08 -59.22 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.281 -1.007 . . . . 10.0 108.281 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' GLY . 15.9 m-20 -66.4 62.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 10.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -142.17 -47.18 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 10.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.25 -7.08 11.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 108.334 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.594 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 93.1 m-70 -115.45 -167.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 10.0 109.548 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.34 116.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 10.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.48 -53.07 3.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.563 1.165 . . . . 10.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.4 m -145.96 105.26 4.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 10.0 110.425 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.594 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -74.96 52.02 2.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 10.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.91 -174.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.66 117.29 16.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 10.0 109.276 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.533 HD11 ' CE1' ' A' ' 30' ' ' HIS . 52.2 mt -80.32 158.35 4.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 10.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.7 89.65 6.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 10.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 40' ' ' ASP . 20.2 mm -112.34 137.35 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 10.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' N ' HG21 ' A' ' 39' ' ' ILE . 0.5 OUTLIER 178.49 -50.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 10.0 109.324 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 1.6 tttt 178.29 58.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 10.0 109.27 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' LYS . 9.9 ttmt -164.22 -75.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 10.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -60.96 -49.16 78.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 10.0 110.072 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.48 -13.73 33.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -114.72 3.53 14.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 10.0 109.593 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 42' ' ' LYS . 20.3 tttt -107.89 -106.22 0.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 109.325 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 1.6 m-20 -109.47 -17.27 13.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 10.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -47.31 -55.9 7.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 10.0 109.316 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 51' ' ' THR . 0.8 OUTLIER -97.29 -67.72 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 10.0 108.269 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -54.89 90.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 10.0 109.226 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 49' ' ' CYS . 1.0 OUTLIER -175.77 -52.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 10.0 110.401 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.55 -57.11 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 10.0 108.328 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -48.41 -62.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 10.0 109.604 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -73.02 59.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 10.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -149.69 -47.26 0.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.438 1.086 . . . . 10.0 110.048 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -115.33 -68.73 0.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 10.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -176.98 130.19 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.071 . . . . 10.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.68 -168.04 37.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.566 1.166 . . . . 10.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.05 9.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 10.0 111.039 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.1 t -173.33 46.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 10.0 110.395 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 62' ' ' CYS . 12.4 ptmt -155.01 31.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 10.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 61' ' ' LYS . 3.8 t 81.57 -70.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 10.0 108.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.4 58.42 0.64 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.498 1.124 . . . . 10.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.5 -85.57 0.1 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.9 m -62.14 -51.39 68.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.339 -0.985 . . . . 10.0 108.339 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.569 ' CE1' ' O ' ' A' ' 10' ' ' LYS . 4.2 m-70 -65.6 141.51 58.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 10.0 109.632 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mm -128.14 110.55 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 10.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 10.0 109.343 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.8 t -137.77 117.58 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.251 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' PHE . 3.2 t -89.85 158.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 10.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.407 ' N ' ' CG1' ' A' ' 4' ' ' VAL . 52.9 m -130.84 123.65 29.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 10.0 110.483 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -120.49 93.89 4.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.402 1.064 . . . . 10.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -81.03 134.23 35.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 10.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -134.22 170.4 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 10.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -51.82 -65.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 10.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -47.47 -68.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 10.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.31 -142.65 3.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.471 1.107 . . . . 10.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -148.13 156.73 42.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.796 . . . . 10.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.524 HG21 ' CD1' ' A' ' 15' ' ' PHE . 4.9 m -129.84 104.19 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.547 ' O ' ' CG2' ' A' ' 14' ' ' THR . 13.1 t -69.13 83.59 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 10.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.524 ' CD1' HG21 ' A' ' 13' ' ' VAL . 2.5 m-30 -47.93 167.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 10.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.544 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 7.5 m-20 -137.24 122.26 19.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 10.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.55 -60.86 1.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 10.0 109.598 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -85.22 -31.19 23.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.168 . . . . 10.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.96 -28.92 67.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 10.0 109.321 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.544 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -92.11 -50.3 5.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 10.0 109.548 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -38.94 -30.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 10.0 109.263 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' HIS . 1.9 mt-10 -54.62 -50.3 68.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 10.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 20' ' ' HIS . 10.9 mttt -92.26 -56.42 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 10.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.509 HD13 ' CD2' ' A' ' 20' ' ' HIS . 7.3 mp -47.33 -85.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 10.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 118.1 24.28 3.32 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.47 1.106 . . . . 10.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER 67.88 -69.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.319 -0.993 . . . . 10.0 108.319 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' GLY . 69.2 m-20 -39.85 -30.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 10.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 26' ' ' CYS . . . -51.48 -43.63 62.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 10.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 26' ' ' CYS . 5.5 m -105.01 -51.38 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 10.0 108.282 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.556 ' CE1' HD12 ' A' ' 37' ' ' ILE . 4.8 m-70 -97.29 -153.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 10.0 109.658 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -139.52 -156.0 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 10.0 110.359 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.51 -20.67 7.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 10.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.1 m -151.75 107.87 2.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 10.0 110.397 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.533 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.3 Cg_endo -74.99 -164.96 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.516 1.798 . . . . 10.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 176.49 -49.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 10.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.08 -178.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 10.0 109.265 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.556 HD12 ' CE1' ' A' ' 30' ' ' HIS . 19.3 mt -150.51 148.52 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 10.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.411 ' N ' HG21 ' A' ' 37' ' ' ILE . . . -93.52 98.85 11.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 10.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.4 mm -124.1 144.17 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 10.0 109.293 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -177.64 -67.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 10.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.37 67.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 10.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -169.48 -65.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 10.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -76.56 -47.39 22.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 10.0 110.026 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.21 -18.63 6.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 10.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -101.2 6.77 43.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 10.0 109.641 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.431 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -118.08 -162.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 10.0 109.267 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.465 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 2.7 m-20 -43.72 -27.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -40.23 -54.36 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 10.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.512 ' O ' ' C ' ' A' ' 50' ' ' LYS . 58.4 m -120.9 -56.2 1.95 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.117 . . . . 10.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -31.8 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 10.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.465 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 2.6 m -33.56 -81.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 110.363 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 6.9 t -62.49 89.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 10.0 108.262 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.466 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 1.0 OUTLIER 165.04 -60.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 10.0 109.593 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -73.69 67.06 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 10.0 109.249 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -148.65 -45.97 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 10.0 109.995 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -106.84 -68.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 10.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.43 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 1.2 t30 -174.53 158.53 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.615 1.197 . . . . 10.0 109.356 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' A' ' 57' ' ' ASN . . . 136.33 -152.21 21.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 10.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.502 ' CG ' ' SG ' ' A' ' 65' ' ' CYS . 18.4 Cg_endo -74.96 135.15 18.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 10.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 59' ' ' PRO . 1.3 m -168.79 -39.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 10.0 110.446 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 63' ' ' GLY . 4.9 ptmt -85.86 44.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 10.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 64' ' ' GLY . 10.6 t 65.37 -75.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 10.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -61.59 78.74 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.505 1.128 . . . . 10.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -152.4 -67.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.502 ' SG ' ' CG ' ' A' ' 59' ' ' PRO . 89.5 m -72.2 -55.68 6.83 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.285 -1.006 . . . . 10.0 108.285 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -74.13 89.91 2.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 10.0 109.607 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.443 ' O ' ' CG2' ' A' ' 67' ' ' ILE . 11.0 tt -44.16 108.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 10.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.467 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.4 t -133.02 126.27 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.5 m -116.45 147.57 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 10.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 m -134.75 98.14 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 10.0 110.369 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.464 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 95.4 m-85 -69.76 96.23 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 10.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.428 ' HA ' ' CB ' ' A' ' 12' ' ' ASN . 2.6 mt-10 -70.2 121.48 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 10.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 10' ' ' LYS . 26.6 p30 -129.97 -172.38 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 10.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -41.75 30.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 10.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' C ' ' OD1' ' A' ' 8' ' ' ASN . 1.5 mmmt -85.98 48.75 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.318 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.401 ' C ' ' OD1' ' A' ' 8' ' ' ASN . . . 90.92 -126.19 8.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.135 . . . . 10.0 111.056 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.428 ' CB ' ' HA ' ' A' ' 7' ' ' GLU . 12.0 p30 178.27 141.37 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 10.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 6' ' ' TYR . 4.1 p -88.34 122.66 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 10.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -89.98 74.81 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 10.0 110.455 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.35 171.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.551 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 22.1 m-20 -148.41 110.16 4.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 10.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -95.17 -49.5 5.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 10.0 109.546 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -96.15 -14.44 22.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 10.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.482 ' CB ' ' HB3' ' A' ' 16' ' ' ASP . . . -80.6 -25.54 38.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 10.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.551 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 0.9 OUTLIER -102.17 -56.0 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 10.0 109.587 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -40.67 -44.22 2.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 10.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.49 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 10.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.1 mmmt -117.65 -52.83 2.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 10.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.488 HD11 ' CB ' ' A' ' 28' ' ' ALA . 2.0 mm? -45.41 -86.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 10.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' CYS . . . 128.36 4.52 5.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 10.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.9 m 85.8 -67.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 30' ' ' HIS . 24.8 m-20 -41.35 -27.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 109.367 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.488 ' CB ' HD11 ' A' ' 24' ' ' LEU . . . -50.6 -47.78 58.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 10.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.95 -50.7 3.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.551 1.157 . . . . 10.0 108.307 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' A' ' 27' ' ' ASP . 31.7 m-70 -85.16 -168.42 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 10.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 172.77 98.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 10.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.76 81.76 0.57 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.444 1.09 . . . . 10.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 m 74.46 105.11 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 10.0 110.351 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.5 26.92 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.395 1.734 . . . . 10.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -173.59 179.09 2.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 10.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -75.85 108.71 8.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 10.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.8 mt -77.28 164.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 10.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.42 98.44 8.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.586 1.179 . . . . 10.0 109.334 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.0 mm -120.27 135.78 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 10.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER 165.57 173.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 10.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -37.78 135.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 10.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER 89.82 -73.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 10.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 2.7 m -53.56 -62.13 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 10.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.47 -17.17 11.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.571 1.17 . . . . 10.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -100.55 0.84 40.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 10.0 109.614 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -106.98 -154.84 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 10.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -53.55 -23.35 10.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -41.13 -56.23 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 109.248 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 m -109.29 -60.19 1.8 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 10.0 108.233 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 51' ' ' THR . 6.8 mtpt -55.26 98.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 109.368 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER 168.75 -72.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 10.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.2 t -72.88 -8.47 55.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 10.0 108.264 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.402 ' ND1' ' HA2' ' A' ' 58' ' ' GLY . 1.4 m170 -98.42 27.56 4.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 10.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -107.1 -50.69 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 10.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 t -83.39 51.51 2.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 10.0 110.042 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 175.74 -163.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 10.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 58' ' ' GLY . 73.0 m-20 -61.46 -69.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 10.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . 37.59 91.59 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.428 1.08 . . . . 10.0 111.024 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 59.79 5.3 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.449 1.762 . . . . 10.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -85.9 44.54 1.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 10.0 110.405 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -114.71 28.61 8.61 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.579 1.174 . . . . 10.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER 88.04 -74.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 10.0 108.269 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.05 66.5 0.68 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.471 1.107 . . . . 10.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.0 -49.73 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.81 -44.11 6.5 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.346 -0.983 . . . . 10.0 108.346 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -88.06 104.79 16.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.395 1.06 . . . . 10.0 109.543 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 21.1 mt -102.72 96.92 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 10.0 109.348 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 10.0 109.253 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 4' ' ' VAL . 59.7 t 63.92 161.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 10.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.412 ' N ' HG13 ' A' ' 3' ' ' VAL . 98.1 t -144.01 58.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 10.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 t -40.47 160.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 10.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.491 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -143.59 111.09 5.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 10.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.28 127.68 32.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 10.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -141.23 -179.36 6.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 10.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -90.7 -37.88 13.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 10.0 109.353 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -101.22 51.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 10.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.9 141.93 1.07 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 10.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 12.4 p30 -73.92 149.0 41.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.805 . . . . 10.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' THR . 3.6 p -91.67 76.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' VAL . 1.9 m -38.03 111.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 10.0 110.378 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -84.5 -170.72 3.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 10.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.594 ' CB ' ' CG ' ' A' ' 20' ' ' HIS . 23.0 m-20 -153.37 110.29 3.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 10.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.501 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -109.17 -57.18 2.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 10.0 109.6 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.65 -47.56 10.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 10.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.488 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -59.28 -26.0 64.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 10.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.594 ' CG ' ' CB ' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -93.58 -50.37 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 10.0 109.623 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 17' ' ' HIS . . . -45.52 -42.29 10.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 10.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -50.74 -23.98 3.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 10.0 110.287 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -116.34 -65.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 10.0 109.344 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 20' ' ' HIS . 8.8 mp -38.64 -76.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 10.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.418 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 120.06 8.43 8.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.403 1.065 . . . . 10.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.425 ' C ' ' N ' ' A' ' 28' ' ' ALA . 1.1 m 76.13 -62.58 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' HIS . 8.8 p-10 -43.44 -27.62 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 10.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 26' ' ' CYS . . . -53.71 -40.73 66.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.0 m -105.05 -56.55 2.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 10.0 108.35 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.493 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 35.9 m-70 -85.52 -175.92 5.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 10.0 109.606 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 178.27 100.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 10.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.71 75.08 1.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 10.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.4 m 67.2 105.44 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.747 . . . . 10.0 110.405 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.493 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.5 Cg_endo -74.97 149.21 36.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 10.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -141.26 -45.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 10.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -177.27 -176.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 10.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.414 HG21 ' N ' ' A' ' 38' ' ' ALA . 4.5 mt -142.95 157.71 17.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.414 ' N ' HG21 ' A' ' 37' ' ' ILE . . . -92.76 78.12 4.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 10.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.3 mm -104.54 137.34 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.401 1.063 . . . . 10.0 109.367 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER 168.83 158.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 10.0 109.337 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 38.0 tttt -38.98 136.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 10.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 15.2 tttm 90.88 -68.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 10.0 109.234 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 33.1 m -59.16 -59.84 4.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 10.0 110.008 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.62 -17.11 19.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 10.0 109.371 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -98.83 -1.27 40.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 10.0 109.61 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.416 ' C ' ' N ' ' A' ' 48' ' ' ALA . 2.7 tttt -103.7 -158.56 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 10.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' ALA . 4.0 m-20 -46.66 -25.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 10.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -40.06 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 10.0 109.344 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 70.5 m -95.98 -67.96 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 10.0 108.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 51' ' ' THR . 0.7 OUTLIER -53.67 102.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.394 1.059 . . . . 10.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER 168.85 -59.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 10.0 110.367 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -52.47 65.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 10.0 108.287 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -56.75 -42.15 78.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 10.0 109.539 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -51.5 -30.25 19.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 10.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.5 t -52.32 -64.99 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 10.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -105.57 -76.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 10.0 109.375 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -169.37 159.73 8.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 10.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.25 -160.64 34.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 10.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.449 ' HB3' ' CA ' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -74.99 74.11 4.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 10.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.0 m -79.25 -43.34 23.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 10.0 110.377 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.41 ' CG ' ' N ' ' A' ' 62' ' ' CYS . 0.4 OUTLIER -97.02 -172.86 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 10.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.41 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -63.53 -177.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 10.0 108.321 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.71 28.82 3.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 10.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.449 ' CA ' ' HB3' ' A' ' 59' ' ' PRO . . . -107.12 -66.34 0.63 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.084 -0.806 . . . . 10.0 111.084 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.78 -64.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.285 -1.006 . . . . 10.0 108.285 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -56.1 160.29 2.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 10.0 109.603 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.1 mt -123.04 102.9 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 10.0 109.362 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.4 tttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 10.0 109.338 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -172.16 128.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 10.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.433 ' CG1' ' CZ ' ' A' ' 6' ' ' TYR . 33.9 t -118.44 65.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 10.0 109.365 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.8 m -71.54 113.89 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 10.0 110.373 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.433 ' CZ ' ' CG1' ' A' ' 4' ' ' VAL . 37.1 m-85 -98.54 120.68 39.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.398 1.061 . . . . 10.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -88.52 115.91 26.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 10.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -116.58 -172.58 2.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 10.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -36.78 23.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 10.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.05 50.77 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 10.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.83 -124.55 7.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 10.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.415 ' ND2' HD12 ' A' ' 67' ' ' ILE . 8.7 p-10 177.03 153.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 10.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -109.24 114.48 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 10.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' A' ' 14' ' ' THR . 8.4 m -81.04 51.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 10.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.415 ' CG ' ' N ' ' A' ' 16' ' ' ASP . 83.5 t80 -46.61 168.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 10.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.447 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 20.6 m-20 -147.91 147.8 30.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 10.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.95 -54.61 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 10.0 109.551 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -85.52 -45.84 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 10.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.13 -29.3 65.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.549 1.156 . . . . 10.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.53 ' CD2' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -85.77 -52.61 5.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 10.0 109.582 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.11 -29.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 10.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 20' ' ' HIS . 1.3 mm-40 -47.11 -58.48 3.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 10.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -89.34 -47.38 8.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 10.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.53 HD12 ' CD2' ' A' ' 20' ' ' HIS . 1.4 mp -49.6 -87.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 26' ' ' CYS . . . 122.92 5.95 7.95 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.464 1.102 . . . . 10.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.8 m 83.82 -69.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.318 -0.993 . . . . 10.0 108.318 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -41.75 -28.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 10.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 26' ' ' CYS . . . -50.21 -42.6 51.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 10.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.5 m -107.14 -54.35 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 10.0 108.355 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.47 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 47.2 m-70 -82.79 -176.85 6.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 10.0 109.579 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -160.63 112.62 1.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 10.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 44.34 92.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 10.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.0 m 69.6 105.15 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 10.0 110.363 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -75.02 -163.18 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 10.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 177.42 -58.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 10.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -177.2 172.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 10.0 109.279 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 38' ' ' ALA . 5.7 mt -143.22 158.78 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 10.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' N ' HG23 ' A' ' 37' ' ' ILE . . . -103.95 93.58 4.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 10.0 109.349 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.476 HD11 ' CB ' ' A' ' 44' ' ' ALA . 13.8 mm -123.3 139.62 49.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 10.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -171.93 -60.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 10.0 109.268 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.511 ' HA ' ' CE1' ' A' ' 45' ' ' HIS . 4.1 tmtt? -177.87 66.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 10.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.63 -77.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 10.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -66.81 -49.34 66.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 10.0 110.066 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.476 ' CB ' HD11 ' A' ' 39' ' ' ILE . . . -57.01 -17.55 10.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.593 1.183 . . . . 10.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.511 ' CE1' ' HA ' ' A' ' 41' ' ' LYS . 60.2 m80 -98.56 0.61 45.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 10.0 109.628 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.463 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -111.3 -164.88 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 10.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.442 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 7.3 m-20 -39.53 -29.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 10.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -40.16 -54.45 2.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 10.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 50' ' ' LYS . 3.7 m -123.64 -48.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 10.0 108.373 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 49' ' ' CYS . 2.8 mmtt -37.13 -55.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 10.0 109.321 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.442 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 6.8 m -68.16 -57.26 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 10.0 110.428 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.537 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 3.0 t -73.92 96.86 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 108.343 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER 162.76 -36.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 10.0 109.642 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -101.59 60.26 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 109.36 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.71 -49.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 10.0 109.951 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.33 -61.85 1.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 10.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -166.29 123.58 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 10.0 109.253 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 175.99 158.72 20.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.579 1.174 . . . . 10.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.478 ' HG2' ' CA ' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -75.01 138.87 23.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 10.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -144.52 16.58 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 10.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -28.59 54.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 10.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 44.1 t -177.23 -106.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 10.0 108.317 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . -56.89 -71.78 0.68 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 10.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.478 ' CA ' ' HG2' ' A' ' 59' ' ' PRO . . . 68.65 -57.86 0.49 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.015 -0.834 . . . . 10.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' GLY . 2.2 p -88.97 -1.22 58.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -96.48 139.37 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 10.0 109.595 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.415 HD12 ' ND2' ' A' ' 12' ' ' ASN . 3.3 mp -102.36 91.18 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 10.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 10.0 109.241 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.7 t -110.49 156.4 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 10.0 109.37 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.485 HG11 ' CE2' ' A' ' 6' ' ' TYR . 79.7 t -134.51 146.97 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 10.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.17 124.4 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 10.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.485 ' CE2' HG11 ' A' ' 4' ' ' VAL . 59.7 m-85 -118.26 133.87 55.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 10.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -87.98 143.72 26.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 10.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -154.64 170.06 22.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 10.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -102.19 26.21 7.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 10.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.56 59.95 0.69 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 10.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.84 139.11 0.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 10.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.38 138.29 38.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 10.0 109.313 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 p -113.48 60.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 10.0 109.35 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -55.43 127.42 29.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 10.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -101.88 -179.73 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.391 1.057 . . . . 10.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.474 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 61.1 m-20 -143.11 133.81 25.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 10.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.87 -58.7 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 10.0 109.588 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.12 -33.73 16.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 10.0 109.262 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.33 66.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 10.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.569 ' CD2' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -88.13 -52.52 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 10.0 109.645 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.04 -29.35 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 10.0 109.238 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 20' ' ' HIS . 2.8 mt-10 -49.32 -51.2 35.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.168 . . . . 10.0 110.307 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.24 -40.5 10.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 10.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.569 HD12 ' CD2' ' A' ' 20' ' ' HIS . 6.2 mp -68.69 -105.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 10.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.526 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 133.83 40.19 0.19 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 10.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 61.83 -77.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 25' ' ' GLY . 7.2 m-20 -38.35 -41.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 10.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -39.38 -38.13 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 10.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.402 ' SG ' ' CD2' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -111.8 -59.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 10.0 108.242 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 73.5 m-70 -68.02 -162.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 10.0 109.607 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -166.67 95.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 10.0 110.374 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.36 96.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.535 1.147 . . . . 10.0 111.013 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.7 m 68.39 104.82 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 10.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.46 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.5 Cg_endo -75.0 -172.99 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.585 1.834 . . . . 10.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -176.14 -52.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 10.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -179.88 -177.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 10.0 109.322 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 36' ' ' LYS . 23.3 mt -154.33 142.81 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 10.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.98 94.44 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 10.0 109.294 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 32.3 mm -116.86 110.65 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 10.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -172.56 -70.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 10.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -167.3 65.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 10.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.58 -72.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 10.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -77.51 -35.08 53.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 10.0 109.993 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.415 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . . . -62.45 -11.76 17.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 10.0 109.237 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -122.2 7.63 9.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 10.0 109.576 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 47' ' ' ASP . 16.6 mtpt -137.18 -119.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 10.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.508 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -37.2 -71.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.399 1.062 . . . . 10.0 109.259 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.508 ' C ' ' O ' ' A' ' 47' ' ' ASP . . . -31.82 -76.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 51' ' ' THR . 62.1 m -91.26 -132.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 10.0 108.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' CYS . 1.6 mmtt 37.32 32.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 10.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 52' ' ' CYS . 10.9 t -152.53 166.21 32.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 10.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.616 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 10.9 t 34.82 71.9 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 10.0 108.294 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 6.7 m-70 178.69 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 10.0 109.634 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' HA ' ' CG2' ' A' ' 60' ' ' THR . 25.1 mtmt -40.17 -31.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 10.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -111.76 -66.46 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.075 . . . . 10.0 109.963 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -53.73 157.57 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 10.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.26 -71.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 10.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 132.31 -69.07 0.54 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.491 1.119 . . . . 10.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 121.0 6.3 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.522 1.801 . . . . 10.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.416 ' CG2' ' HA ' ' A' ' 54' ' ' LYS . 80.8 p -115.48 -39.87 3.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 10.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -73.12 -149.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 10.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.19 168.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 10.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 49.85 31.28 16.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.432 1.083 . . . . 10.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.78 -62.15 0.65 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.923 -0.871 . . . . 10.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 p -108.64 -51.89 2.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.262 -1.014 . . . . 10.0 108.262 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -51.91 135.1 30.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 10.0 109.564 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.1 mt -89.24 94.84 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 10.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 10.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.3 t -141.58 144.57 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 10.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.521 ' HB ' ' CD1' ' A' ' 15' ' ' PHE . 4.8 t -136.29 57.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 10.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.3 m -69.68 103.27 2.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 10.0 110.347 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.419 ' CE2' HG11 ' A' ' 4' ' ' VAL . 46.6 m-85 -81.9 119.95 24.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 10.0 111.085 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -97.53 128.67 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 10.0 110.352 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -136.28 177.33 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 10.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -19.46 52.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.48 52.27 0.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 10.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.65 -141.7 15.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 10.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.3 p30 174.01 128.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 10.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 m -85.92 132.0 33.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 10.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.408 ' O ' ' OD1' ' A' ' 16' ' ' ASP . 18.0 m -89.04 38.85 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 10.0 110.317 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.521 ' CD1' ' HB ' ' A' ' 4' ' ' VAL . 20.2 t80 -43.93 155.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 10.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.444 ' OD2' ' ND1' ' A' ' 20' ' ' HIS . 3.6 m-20 -141.22 150.68 42.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -109.99 -52.01 2.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 10.0 109.642 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.04 -37.13 13.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 10.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.79 -24.45 65.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 10.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -88.52 -48.6 7.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 10.0 109.625 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.78 -53.99 10.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 10.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -50.92 -21.4 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 10.0 110.327 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' HIS . 15.9 mmmt -102.16 -28.5 12.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 10.0 109.233 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.528 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 1.4 mt -97.72 -121.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 10.0 109.369 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 174.15 35.34 0.04 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.476 1.11 . . . . 10.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.463 ' C ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 61.85 -74.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -42.88 -26.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 10.0 109.379 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.528 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -56.65 -39.76 74.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 10.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' CYS . 61.6 m -105.81 -51.49 2.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 10.0 108.272 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.432 ' NE2' HD13 ' A' ' 37' ' ' ILE . 37.4 m-70 -91.52 -172.76 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 10.0 109.572 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 175.48 111.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 10.0 110.299 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.76 -62.14 0.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.108 . . . . 10.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -160.68 113.77 1.35 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 10.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.97 5.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 10.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -129.98 -44.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 10.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -179.92 158.6 0.77 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 10.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.432 HD13 ' NE2' ' A' ' 30' ' ' HIS . 17.1 mt -121.85 -0.43 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 10.0 109.355 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 48.34 96.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 10.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.0 mm -119.48 135.84 58.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 10.0 109.236 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.96 -69.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.082 . . . . 10.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -178.4 52.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.505 1.128 . . . . 10.0 109.353 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.94 -79.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 10.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -50.74 -49.4 57.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 10.0 110.023 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.23 -17.11 10.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 10.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -101.02 0.74 38.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 10.0 109.544 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -109.53 -157.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 10.0 109.231 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.8 OUTLIER -47.97 -29.65 3.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 10.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -39.12 -61.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 10.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 51' ' ' THR . 88.7 m -122.51 -102.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 10.0 108.362 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER 35.51 -93.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 10.0 109.308 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.558 ' N ' ' O ' ' A' ' 49' ' ' CYS . 37.5 p -39.82 -66.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 38.1 t -49.73 95.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 10.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.538 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER 160.29 -29.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 10.0 109.615 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -76.65 55.95 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 10.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.4 t -137.04 -69.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 10.0 109.984 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -87.2 -64.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 10.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -87.8 -178.65 6.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.39 65.34 0.53 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.434 1.084 . . . . 10.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 54.55 3.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 10.0 111.01 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.5 m -65.38 -61.7 1.96 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 10.0 110.459 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 62' ' ' CYS . 1.8 ptmt -75.86 153.52 36.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 10.0 109.364 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 64' ' ' GLY . 83.6 m -41.62 -53.01 3.66 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.464 1.103 . . . . 10.0 108.216 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 62' ' ' CYS . . . -36.78 -32.07 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.137 . . . . 10.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -47.55 -75.61 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.923 -0.871 . . . . 10.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 9.1 m -76.78 -58.09 3.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.247 -1.02 . . . . 10.0 108.247 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' LYS . 30.5 m-70 -78.05 91.08 4.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 10.0 109.588 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.6 mm -56.66 90.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.441 1.088 . . . . 10.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 66' ' ' HIS . 5.9 mmtp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 10.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.412 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 40.5 t 70.05 127.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.395 1.059 . . . . 10.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.407 ' CG1' ' CE2' ' A' ' 6' ' ' TYR . 85.0 t -122.8 152.56 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 10.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -118.16 114.83 23.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 10.0 110.358 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.407 ' CE2' ' CG1' ' A' ' 4' ' ' VAL . 29.3 m-85 -116.89 80.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 10.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.34 139.03 58.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 10.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -138.25 160.96 38.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 10.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.97 -59.69 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 10.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.82 -79.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 10.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.4 -85.56 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.567 1.167 . . . . 10.0 110.977 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 179.05 135.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 10.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 p -114.45 45.6 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 10.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 m -42.51 120.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -77.11 177.19 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.369 1.043 . . . . 10.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.564 ' HB2' ' CD2' ' A' ' 20' ' ' HIS . 11.9 m-20 -143.79 126.58 16.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.366 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 2.1 t-80 -122.34 -62.47 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 10.0 109.646 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -27.28 39.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 10.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -80.94 -22.08 39.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 10.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -99.46 -43.22 6.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 10.0 109.573 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 17' ' ' HIS . . . -62.71 -12.34 23.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 10.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -72.45 -26.14 61.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.069 . . . . 10.0 110.307 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -118.83 -41.12 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 10.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 10.0 mp -57.31 -79.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.439 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 120.56 16.14 4.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 10.0 111.033 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.7 OUTLIER 76.05 -61.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.276 -1.009 . . . . 10.0 108.276 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -45.87 -26.43 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 10.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.454 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -60.37 -38.68 84.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 10.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' CYS . 19.0 m -104.25 -54.56 2.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 10.0 108.333 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.5 ' CE1' HD13 ' A' ' 37' ' ' ILE . 61.2 m-70 -89.79 -174.64 4.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 10.0 109.579 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -176.38 100.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 10.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.48 87.53 0.2 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.413 1.071 . . . . 10.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.4 m 70.94 103.93 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 10.0 110.389 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 168.11 25.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 10.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -172.92 172.76 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 10.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -65.09 108.94 2.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 10.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.5 HD13 ' CE1' ' A' ' 30' ' ' HIS . 82.7 mt -72.3 164.64 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 10.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.423 ' N ' HG21 ' A' ' 37' ' ' ILE . . . -99.57 91.44 4.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 10.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 mm -105.67 138.41 30.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.14 . . . . 10.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER 176.8 173.58 0.42 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 10.0 109.329 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.445 ' NZ ' ' OD1' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -69.9 59.78 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 10.0 109.317 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -157.41 -52.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 10.0 109.346 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -103.23 -36.37 8.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 10.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.94 -18.94 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 109.308 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -101.4 7.42 42.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 10.0 109.569 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -119.13 -161.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.424 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 0.7 OUTLIER -41.41 -29.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 10.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -39.91 -53.77 2.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 10.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.9 m -121.62 -53.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 10.0 108.273 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' O ' ' C ' ' A' ' 51' ' ' THR . 4.8 mttt -33.56 -78.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 10.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.534 ' C ' ' O ' ' A' ' 50' ' ' LYS . 1.2 m -27.2 -85.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 10.0 110.384 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 9.0 t -61.42 83.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 10.0 108.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.487 ' HB3' ' CG ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER 166.97 -39.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 10.0 109.62 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -83.39 69.79 10.07 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 10.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.35 -54.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 10.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.4 -66.29 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 10.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -67.36 -78.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 10.0 109.268 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.89 79.04 1.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.429 1.08 . . . . 10.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.01 7.72 2.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.506 1.793 . . . . 10.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.506 ' C ' ' O ' ' A' ' 59' ' ' PRO . 32.2 m -30.28 -64.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 10.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -65.48 144.23 57.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 10.0 109.356 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 61.7 m -50.39 -43.55 54.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 10.0 108.282 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.71 -21.0 4.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.411 1.07 . . . . 10.0 111.016 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.86 -74.05 0.42 Allowed Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.045 -0.822 . . . . 10.0 111.045 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.56 -61.83 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.234 -1.024 . . . . 10.0 108.234 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -80.0 90.97 5.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 10.0 109.577 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 mp -49.7 103.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 109.231 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tttt . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 10.0 109.343 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.7 t 66.51 91.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 10.0 109.262 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.5 t -76.71 170.01 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.385 1.053 . . . . 10.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -142.06 110.27 5.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.557 1.161 . . . . 10.0 110.369 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -109.64 82.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 10.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.88 134.18 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 10.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 11' ' ' GLY . 25.0 p30 -149.75 -171.52 3.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 10.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -34.2 14.22 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 10.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -86.43 51.65 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 10.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.462 ' O ' ' ND2' ' A' ' 8' ' ' ASN . . . 64.64 135.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.445 1.091 . . . . 10.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.61 140.32 56.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 10.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 14' ' ' THR . 5.6 p -104.17 57.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 10.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' VAL . 4.0 m -37.54 111.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 10.0 110.431 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -81.19 171.3 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.503 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 4.9 m-20 -137.94 122.2 18.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 10.0 109.311 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -113.3 -47.61 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 10.0 109.551 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -87.11 -58.59 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 10.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.1 -29.8 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 10.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.503 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -75.85 -50.47 15.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 10.0 109.605 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.23 71.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 10.0 109.26 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -46.12 -44.27 15.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 10.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -104.27 -30.4 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 10.0 109.227 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -93.94 -115.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 10.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 164.42 -161.98 34.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 10.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -100.58 -27.96 13.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.361 -0.977 . . . . 10.0 108.361 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.37 -13.26 59.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 10.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.82 -48.69 65.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 10.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.5 m -103.07 -42.05 5.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 10.0 108.31 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.57 ' CE1' HD12 ' A' ' 37' ' ' ILE . 2.5 m-70 -102.23 -142.88 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 10.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.68 -160.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 10.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.23 -22.08 3.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 10.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.1 m -150.98 106.84 3.02 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 10.0 110.354 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.527 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.5 Cg_endo -74.93 -163.17 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 10.0 111.088 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 179.55 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 10.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -179.69 171.77 1.17 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 10.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.57 HD12 ' CE1' ' A' ' 30' ' ' HIS . 8.0 mt -146.13 145.4 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 10.0 109.298 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.18 109.9 20.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 10.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 mm -118.21 139.28 46.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 10.0 109.228 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 42' ' ' LYS . 19.9 p-10 175.83 160.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 10.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.34 70.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 10.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -170.48 -51.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 10.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 6.0 m -103.76 -34.97 8.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 10.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.91 -16.98 20.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 10.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -100.21 -1.42 36.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 10.0 109.555 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.14 -155.61 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 10.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.43 -23.89 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 10.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -41.03 -65.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 10.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.84 -70.58 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 10.0 108.286 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.46 100.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 10.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 179.91 -42.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.07 . . . . 10.0 110.361 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.45 -47.58 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 10.0 108.297 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.578 ' CE1' ' HD2' ' A' ' 59' ' ' PRO . 8.5 m170 -41.4 -54.79 2.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 10.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.87 79.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 10.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' HIS . 3.0 t 174.97 -34.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 10.0 110.016 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -136.78 171.71 14.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 10.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -50.95 121.52 6.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 10.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 173.69 179.78 44.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 10.0 111.075 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.578 ' HD2' ' CE1' ' A' ' 53' ' ' HIS . 18.4 Cg_endo -74.96 117.74 5.02 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.519 1.799 . . . . 10.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 m -119.29 -52.85 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 1.182 . . . . 10.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -111.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 37.9 t -138.32 -54.7 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 10.0 108.295 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.9 58.93 0.75 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 10.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.56 -52.34 0.07 OUTLIER Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 71.3 m -81.75 -55.2 4.78 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.258 -1.015 . . . . 10.0 108.258 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -80.98 119.66 23.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 10.0 109.647 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.5 mt -100.39 119.33 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 10.0 109.283 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 10.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.441 ' HB3' ' CB ' ' A' ' 18' ' ' LYS . 3.6 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.9 172.75 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 10.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.42 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 24.5 t -142.13 72.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 10.0 109.346 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.5 m -43.96 155.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 10.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.485 ' CD2' ' CE1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -161.75 38.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 10.0 111.026 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.39 160.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 10.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.05 158.16 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 109.317 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -60.16 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 10.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.92 -72.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 10.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.01 -102.92 0.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 10.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -178.18 141.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 0.725 . . . . 10.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.7 p -127.64 64.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 10.0 109.304 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -58.25 116.69 3.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 10.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.485 ' CE1' ' CD2' ' A' ' 6' ' ' TYR . 10.4 m-85 -76.25 -172.34 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 10.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -154.64 116.45 4.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 10.0 109.349 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -94.52 -54.58 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 10.0 109.582 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -83.08 -41.25 18.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 10.0 109.298 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 16' ' ' ASP . . . -53.93 -29.25 41.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 21' ' ' ALA . 12.5 m170 -98.06 -64.75 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 10.0 109.601 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -37.02 -38.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 10.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.01 -38.8 3.72 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 10.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' CG ' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -110.07 -55.98 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 10.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.449 ' N ' ' CG ' ' A' ' 23' ' ' LYS . 9.2 mp -39.21 -78.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 10.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 121.53 10.4 6.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 10.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 28' ' ' ALA . 1.8 m 81.79 -53.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.241 -1.022 . . . . 10.0 108.241 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -68.61 60.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 10.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -135.4 -49.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 10.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.94 -17.27 12.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.075 . . . . 10.0 108.267 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -100.62 -172.9 2.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 10.0 109.664 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.88 116.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 10.0 110.25 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.07 95.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 10.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.4 m 67.37 104.45 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 10.0 110.411 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 124.59 8.73 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.801 . . . . 10.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.79 168.17 20.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 10.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.6 116.06 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 10.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.0 mt -83.58 145.01 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 10.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.35 86.28 3.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 10.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 40' ' ' ASP . 6.6 mm -104.46 141.76 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 10.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 42' ' ' LYS . 4.3 p-10 171.56 165.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 10.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 42' ' ' LYS . 3.4 ttpt -55.0 86.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 10.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER 176.9 -53.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 10.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -105.67 -36.8 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 10.0 109.985 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.19 -18.65 10.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -97.96 3.61 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.618 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.463 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -114.75 -164.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 10.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.468 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 4.6 t0 -40.89 -28.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 10.0 109.338 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -38.09 -57.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 10.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' LYS . 92.8 m -122.45 -50.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 10.0 108.31 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' CYS . 1.4 mmtp -34.13 -73.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 10.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.468 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 1.4 m -34.71 -80.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 10.0 110.384 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 8.9 t -59.42 101.09 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 10.0 108.255 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 59' ' ' PRO . 0.6 OUTLIER 160.38 -45.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 10.0 109.607 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -75.18 59.03 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 10.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -131.28 -52.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 10.0 110.009 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.0 -66.83 0.97 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.51 1.131 . . . . 10.0 109.321 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -101.24 -59.22 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 10.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.32 69.3 1.41 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 10.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.553 ' HG2' ' CE1' ' A' ' 53' ' ' HIS . 18.4 Cg_endo -75.05 56.38 4.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.783 . . . . 10.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.6 p -110.39 63.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 10.0 110.422 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 63' ' ' GLY . 4.4 pttt -159.87 43.71 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 10.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 68.25 -73.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 10.0 108.27 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -49.15 -23.26 3.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 10.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.94 -74.29 0.34 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.037 -0.825 . . . . 10.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -91.69 -68.36 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.271 -1.011 . . . . 10.0 108.271 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -51.9 150.01 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 10.0 109.629 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.1 mm -123.45 138.85 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 10.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 10.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.464 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 2.6 p-10 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.496 ' CG2' ' OD1' ' A' ' 16' ' ' ASP . 2.3 t -164.81 142.34 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 10.0 109.36 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.472 HG13 ' CE2' ' A' ' 6' ' ' TYR . 89.0 t -130.88 70.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 10.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 m -74.93 93.67 2.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 10.0 110.433 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.472 ' CE2' HG13 ' A' ' 4' ' ' VAL . 23.3 m-85 -65.49 120.34 12.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 10.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -100.22 113.96 27.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 10.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -125.94 -175.25 3.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 10.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -101.6 38.54 1.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 10.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.85 -64.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 10.0 109.368 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 12' ' ' ASN . . . -152.83 -44.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.523 1.139 . . . . 10.0 110.981 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER 82.44 120.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 0.785 . . . . 10.0 109.261 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.5 m -91.18 136.22 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 10.0 109.372 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.8 m -92.19 50.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 110.415 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -42.49 166.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 10.0 110.989 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.496 ' OD1' ' CG2' ' A' ' 3' ' ' VAL . 3.6 m-20 -149.74 129.63 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 10.0 109.242 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.0 -45.96 5.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.379 1.049 . . . . 10.0 109.573 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -32.5 21.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 10.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -69.76 -33.48 72.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 10.0 109.232 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 0.4 OUTLIER -85.36 -57.3 3.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 10.0 109.608 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 22' ' ' GLU . . . -39.99 -59.95 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 21' ' ' ALA . 17.5 pt-20 -33.44 -39.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 10.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -96.43 -64.32 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 10.0 109.342 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.496 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 8.3 mp -45.45 -79.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 10.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.439 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 121.03 15.12 4.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.379 1.049 . . . . 10.0 110.959 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.0 OUTLIER 77.14 -63.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.254 -1.017 . . . . 10.0 108.254 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -44.66 -25.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 10.0 109.209 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.496 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -58.95 -43.49 91.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 10.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 26' ' ' CYS . 33.4 m -102.66 -50.15 3.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 10.0 108.315 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 36.3 m-70 -99.65 -151.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 10.0 109.638 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' CG ' ' N ' ' A' ' 32' ' ' GLY . 1.2 pt-20 -156.35 -142.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 110.27 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.439 ' N ' ' CG ' ' A' ' 31' ' ' GLU . . . -54.89 -28.76 48.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 10.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -143.22 106.87 5.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 10.0 110.365 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.476 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -75.04 -172.74 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.533 1.807 . . . . 10.0 111.053 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 34' ' ' PRO . . . 166.48 166.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 10.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -65.32 110.51 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 10.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.9 mt -82.52 -11.21 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 10.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 60.4 90.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 10.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.511 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 4.8 mm -98.04 125.06 51.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 10.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.2 m-20 155.33 154.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 10.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 40' ' ' ASP . 14.0 mttm 82.21 -150.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 10.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.25 50.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 10.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 49.1 m -128.49 -60.66 1.11 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 10.0 109.987 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.411 ' CB ' HG22 ' A' ' 39' ' ' ILE . . . -56.61 -17.88 10.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 10.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -96.52 -0.71 48.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 10.0 109.638 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 48' ' ' ALA . 6.5 mttt -109.0 -163.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.441 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 8.9 p-10 -45.21 -24.46 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 10.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -40.48 -53.98 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 10.0 109.339 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.507 ' O ' ' C ' ' A' ' 50' ' ' LYS . 69.7 m -125.38 -53.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 10.0 108.313 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 49' ' ' CYS . 1.2 mttt -32.25 -71.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.603 1.189 . . . . 10.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 50' ' ' LYS . 1.2 m -35.44 -70.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 10.0 110.418 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 1.1 t -75.49 81.76 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 10.0 108.314 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.45 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.7 OUTLIER 166.41 -31.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 10.0 109.659 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -61.1 -45.17 95.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 10.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 99.8 p -92.07 43.56 1.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 10.0 110.018 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.92 -172.7 2.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -124.72 122.09 36.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.12 -125.91 4.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.561 1.163 . . . . 10.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.475 ' HB3' ' CA ' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -74.92 143.67 29.61 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.447 1.761 . . . . 10.0 111.042 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.431 ' CB ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER 170.58 -31.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 10.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 63' ' ' GLY . 30.6 pttt -79.98 52.92 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 10.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 64' ' ' GLY . 44.6 t 64.88 -75.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 10.0 108.349 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -67.22 60.66 0.24 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.545 1.153 . . . . 10.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.475 ' CA ' ' HB3' ' A' ' 59' ' ' PRO . . . -129.84 -53.61 0.1 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.972 -0.851 . . . . 10.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.64 -41.87 20.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.334 -0.987 . . . . 10.0 108.334 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -95.98 94.42 7.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 10.0 109.686 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 tt -67.39 178.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 10.0 109.226 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 10.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -174.03 74.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 10.0 109.317 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.1 t -56.63 157.43 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 10.0 109.263 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -135.71 125.41 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 10.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -124.26 88.38 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.428 1.08 . . . . 10.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.06 134.72 36.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 2.8 p30 -134.53 -176.33 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 10.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -62.65 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 10.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.17 -86.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 10.0 109.371 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -148.96 122.95 1.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.573 1.171 . . . . 10.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -45.28 146.79 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 0.722 . . . . 10.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.0 p -125.66 52.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 10.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -47.92 116.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 10.0 110.416 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.43 ' CZ ' HG23 ' A' ' 39' ' ' ILE . 61.3 m-85 -75.18 -172.15 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 10.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.507 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 56.0 m-20 -149.65 125.28 10.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 10.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.59 -63.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 10.0 109.562 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.54 -47.69 18.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 10.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.508 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -58.12 -27.49 63.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 10.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.507 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -90.38 -53.49 4.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.557 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 23' ' ' LYS . . . -42.17 -50.01 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 10.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -41.67 -27.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 21' ' ' ALA . 15.5 mmtm -106.11 -54.81 2.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 10.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.494 HD22 ' CB ' ' A' ' 28' ' ' ALA . 6.0 mp -61.32 -106.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 10.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.528 ' O ' ' CB ' ' A' ' 26' ' ' CYS . . . 158.51 -47.15 0.44 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.451 1.094 . . . . 10.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.3 m 156.45 -66.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.327 -0.99 . . . . 10.0 108.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.434 ' HA ' ' O ' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -41.07 -28.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 10.0 109.351 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.494 ' CB ' HD22 ' A' ' 24' ' ' LEU . . . -39.47 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 10.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -100.52 -22.02 15.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.443 ' CE1' HD12 ' A' ' 37' ' ' ILE . 86.2 m-70 -107.11 -160.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 10.0 109.608 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -148.81 -149.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 10.0 110.268 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.77 -18.95 54.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 10.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.3 m -154.84 109.13 2.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 10.0 110.438 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.427 ' HB3' ' ND1' ' A' ' 30' ' ' HIS . 18.3 Cg_endo -74.97 -163.63 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 10.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 171.34 -57.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 10.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.07 156.56 1.04 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 10.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 29' ' ' CYS . 36.3 mt -130.16 146.05 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 10.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.5 106.72 19.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 10.0 109.292 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.43 HG23 ' CZ ' ' A' ' 15' ' ' PHE . 8.1 mm -116.16 121.27 67.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 10.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.53 172.18 12.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 10.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -70.37 60.43 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 10.0 109.366 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.32 -49.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 10.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -107.62 -36.45 6.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.596 1.185 . . . . 10.0 110.03 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.32 -18.43 10.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 10.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -99.64 5.58 45.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 10.0 109.64 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 48' ' ' ALA . 1.3 mmtt -116.77 -165.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 10.0 109.278 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.446 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 73.0 m-20 -39.46 -29.49 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 10.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -39.52 -57.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.179 . . . . 10.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 50' ' ' LYS . 57.3 m -120.42 -51.59 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 10.0 108.351 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -33.74 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 10.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 50' ' ' LYS . 1.5 m -32.92 -75.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 10.0 110.35 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 2.6 t -71.62 85.53 0.89 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 10.0 108.335 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.473 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER 165.19 -46.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 10.0 109.613 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.18 67.77 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 10.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.7 t -173.39 -60.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 10.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -88.68 -177.66 5.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 10.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -59.84 104.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 10.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.61 -155.43 8.2 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 10.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 162.78 36.54 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.447 1.762 . . . . 10.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 178.99 -35.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 10.0 110.361 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -91.41 36.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 10.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.6 t 41.98 87.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 108.323 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.23 -31.71 0.65 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.608 1.192 . . . . 10.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.24 -35.81 3.87 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.36 -45.03 8.0 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.337 -0.986 . . . . 10.0 108.337 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -97.12 102.61 14.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.407 1.067 . . . . 10.0 109.638 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 mt -70.9 96.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.6 tptt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 10.0 109.286 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 t0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.4 p -164.98 146.68 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 10.0 109.241 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.403 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 56.0 t -137.04 64.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.421 1.075 . . . . 10.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.2 m -61.19 153.8 25.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 10.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -134.3 168.29 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 10.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -122.34 120.13 33.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 10.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -106.82 178.67 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 10.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -41.1 17.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 10.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.48 51.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.396 1.06 . . . . 10.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.93 -153.85 16.63 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.429 1.08 . . . . 10.0 110.96 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -151.66 131.85 13.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 10.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.08 126.89 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 10.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.9 m -101.4 133.32 46.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 10.0 110.357 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -98.06 -178.57 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 10.0 111.029 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.551 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 62.9 m-20 -156.55 111.03 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 10.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.59 -49.33 6.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 10.0 109.623 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -44.82 12.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 10.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 16' ' ' ASP . . . -52.41 -29.14 22.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 10.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.551 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 0.6 OUTLIER -94.27 -57.43 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 10.0 109.558 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -40.65 -50.9 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 10.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -38.03 -30.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 10.0 110.376 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -102.36 -53.51 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 10.0 109.287 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.482 HD22 ' CB ' ' A' ' 28' ' ' ALA . 5.4 mp -65.23 -102.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 10.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 26' ' ' CYS . . . 130.51 43.32 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 10.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.471 ' O ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 51.37 102.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.356 -0.979 . . . . 10.0 108.356 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 163.41 -29.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.482 ' CB ' HD22 ' A' ' 24' ' ' LEU . . . -74.25 -27.06 60.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 10.0 109.353 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.2 m -113.75 -47.92 2.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 10.0 108.326 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -99.92 178.67 4.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 10.0 109.635 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 170.88 74.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 10.0 110.257 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.7 -48.78 0.95 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 10.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.7 m -147.35 106.5 3.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.736 . . . . 10.0 110.449 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 86.17 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.57 1.826 . . . . 10.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.31 179.77 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 10.0 109.351 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -70.6 113.14 7.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.0 mt -76.07 159.95 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 10.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.82 91.92 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.1 mm -104.29 133.03 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 10.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER 173.15 163.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 10.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -31.69 134.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 10.0 109.257 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 13.9 tttm 91.29 -68.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.48 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -57.12 -65.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 10.0 109.97 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.492 ' HA ' ' CB ' ' A' ' 48' ' ' ALA . . . -55.23 -18.0 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 10.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -95.17 8.43 43.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 10.0 109.638 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' SER . 7.0 ttpt -120.5 -149.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 10.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -39.68 -43.65 1.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.497 ' C ' ' O ' ' A' ' 47' ' ' ASP . . . -32.26 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 10.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.584 ' O ' ' N ' ' A' ' 51' ' ' THR . 85.7 m -107.91 -104.01 0.35 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 10.0 108.313 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER 39.48 -90.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 10.0 109.334 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.584 ' N ' ' O ' ' A' ' 49' ' ' CYS . 7.7 t -38.88 -53.41 1.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 10.0 110.361 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.508 ' N ' ' CG2' ' A' ' 51' ' ' THR . 0.0 OUTLIER -53.89 165.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 10.0 108.282 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 55' ' ' SER . 35.9 m80 72.32 -58.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.599 1.187 . . . . 10.0 109.508 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -62.98 77.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER 177.08 -50.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 10.0 110.011 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -99.08 -73.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 10.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.446 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 2.9 t30 -179.93 160.46 0.89 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.525 1.141 . . . . 10.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.446 ' N ' ' CG ' ' A' ' 57' ' ' ASN . . . 127.89 -132.96 7.62 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 10.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 18.3 Cg_endo -75.02 110.51 3.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 10.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t -129.8 -43.9 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 10.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -61.5 -119.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 10.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 18.1 t -102.22 -76.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 10.0 108.357 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . -60.05 -82.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 10.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.19 -60.28 0.09 OUTLIER Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER -86.03 -54.16 4.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -63.14 129.79 41.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.109 . . . . 10.0 109.564 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.4 mm -87.45 75.26 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 10.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.7 pttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 10.0 109.31 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.512 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.481 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 4.5 t 65.97 76.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 10.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 5' ' ' THR . 5.1 t -98.92 163.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 10.0 109.218 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.495 ' N ' ' CG1' ' A' ' 4' ' ' VAL . 5.3 m -143.57 93.48 2.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 10.0 110.367 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.666 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 24.3 m-85 -68.95 161.29 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 10.0 111.006 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' ASN . 11.4 mt-10 -139.91 41.66 1.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 10.0 110.37 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 7' ' ' GLU . 9.4 p30 -47.38 173.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 10.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -90.76 18.05 6.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 10.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.79 51.16 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 10.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.02 -132.32 10.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 10.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -175.16 146.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 10.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CE1' ' A' ' 15' ' ' PHE . 4.3 p -131.9 91.28 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 10.0 109.388 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -68.15 130.29 42.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 10.0 110.398 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.666 ' CE1' ' CD1' ' A' ' 6' ' ' TYR . 5.5 m-85 -97.89 165.62 11.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 10.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.608 ' CB ' ' CG ' ' A' ' 20' ' ' HIS . 30.9 m-20 -140.17 121.97 15.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 10.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.512 ' HB3' ' N ' ' A' ' 2' ' ' ASP . 6.0 t-80 -128.93 -63.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 10.0 109.609 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -38.05 89.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 10.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.79 -44.92 19.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 10.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.608 ' CG ' ' CB ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -63.88 -46.06 86.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 10.0 109.608 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 17' ' ' HIS . . . -42.94 -57.23 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 10.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -45.2 -25.56 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 10.0 110.25 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' HIS . 5.6 tttt -106.77 -76.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 10.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 20' ' ' HIS . 9.1 mp -34.69 -86.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 10.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 124.36 31.68 0.89 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.458 1.098 . . . . 10.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.481 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 65.1 -75.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.355 -0.98 . . . . 10.0 108.355 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' GLY . 5.2 m-20 -34.56 -40.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 10.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.531 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -39.97 -38.74 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 10.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' CYS . 1.8 m -111.35 -60.02 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 10.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.531 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 14.5 m-70 -84.57 -159.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 10.0 109.679 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 30' ' ' HIS . 1.2 tt0 172.52 118.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 10.0 110.27 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.03 -58.52 5.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 10.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.1 m -148.81 108.34 3.5 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 10.0 110.424 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.531 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.3 Cg_endo -74.97 160.4 40.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 10.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -178.08 162.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 10.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.62 125.07 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 10.0 109.32 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.3 mt -95.76 -10.65 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 73.07 100.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 10.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.1 mm -116.19 129.63 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 10.0 109.364 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -160.08 -75.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 10.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.85 76.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 10.0 109.351 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 173.76 -68.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 10.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -67.65 -43.91 79.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 10.0 109.957 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.3 -17.16 17.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 10.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -98.6 -2.12 39.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 10.0 109.639 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -104.2 -161.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 10.0 109.356 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 48' ' ' ALA . 9.8 t70 -41.53 -28.84 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 10.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -39.57 -70.29 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 10.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -102.74 -64.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 10.0 108.315 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -54.64 90.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 10.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER 176.54 -59.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 10.0 110.422 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -88.83 -52.5 5.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 10.0 108.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -40.82 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 10.0 109.642 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -78.13 80.76 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 10.0 109.229 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.05 -46.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 110.0 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -104.99 -87.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 10.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -53.47 -33.49 54.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 10.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' HD3' ' A' ' 59' ' ' PRO . . . 59.65 62.89 5.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.466 1.104 . . . . 10.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.0 1.26 7.94 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.787 . . . . 10.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' PRO . 3.3 m -37.2 -69.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 10.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.63 136.96 54.6 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 10.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -41.69 153.99 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 10.0 108.256 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.63 -24.69 26.72 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 10.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.2 -44.25 89.0 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 59.7 m -113.75 -63.23 1.48 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.277 -1.008 . . . . 10.0 108.277 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -77.12 100.81 5.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 10.0 109.577 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 8.9 mt -89.06 66.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 10.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.17 . . . . 10.0 109.295 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.476 ' HA ' ' CB ' ' A' ' 18' ' ' LYS . 9.9 t0 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.46 123.16 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.8 t -106.81 79.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 10.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -75.96 117.67 17.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 10.0 110.373 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.477 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 10.2 m-85 -111.94 104.22 12.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 10.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -60.35 117.4 5.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 10.0 110.364 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -98.6 -176.06 3.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 10.0 109.234 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -58.92 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 10.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -114.39 64.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.74 -170.19 31.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 10.0 111.054 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -161.31 106.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 10.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 6' ' ' TYR . 8.3 p -85.3 123.07 39.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 10.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.5 m -103.25 58.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 10.0 110.437 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -45.48 164.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 10.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.427 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 45.5 m-20 -138.79 133.99 32.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 10.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.43 -42.61 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 10.0 109.61 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' CB ' ' HA ' ' A' ' 2' ' ' ASP . 26.1 tttm -99.33 -28.48 13.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 10.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.47 -31.4 65.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 10.0 109.263 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -87.38 -53.07 5.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 10.0 109.649 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -38.39 -31.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 10.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' HIS . 2.4 mt-10 -53.21 -55.08 27.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 10.0 110.33 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' HIS . 6.9 mmtp -86.86 -54.9 4.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 10.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.2 mp -48.97 -82.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 118.89 21.55 3.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 10.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 m 69.41 -67.2 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.308 -0.997 . . . . 10.0 108.308 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' GLY . 4.9 m-20 -44.85 -29.53 0.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 10.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.14 -36.5 60.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 10.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.1 m -110.43 -56.37 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 10.0 108.296 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.496 ' CE1' HD11 ' A' ' 37' ' ' ILE . 40.9 m-70 -84.21 -176.72 6.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 10.0 109.675 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.2 101.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 10.0 110.294 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.04 87.93 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 10.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.4 m 71.69 104.27 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.493 0.761 . . . . 10.0 110.42 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 165.5 31.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 10.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -166.31 -174.08 2.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 10.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 1.4 pttt -83.3 105.47 14.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 10.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.496 HD11 ' CE1' ' A' ' 30' ' ' HIS . 46.2 mt -75.99 166.81 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 10.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.429 ' O ' ' HB ' ' A' ' 39' ' ' ILE . . . -60.05 -118.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 10.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 0.9 OUTLIER 69.06 136.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 10.0 109.364 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER 162.22 -51.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 10.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' A' ' 43' ' ' SER . 15.5 mttt -135.06 -131.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 10.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -39.55 -30.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 10.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 5.3 m -55.63 -61.76 2.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.494 1.121 . . . . 10.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.48 -15.52 11.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 10.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -95.96 -3.85 44.37 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 10.0 109.598 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.7 -164.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 10.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.9 OUTLIER -46.61 -25.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 10.0 109.34 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -39.96 -56.19 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 10.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' THR . 4.4 t -108.56 -70.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 10.0 108.375 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -46.13 97.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 10.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.6 OUTLIER -178.14 -44.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 10.0 110.385 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.6 t -121.26 59.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 10.0 108.281 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -146.3 -45.48 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 10.0 109.623 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.33 77.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 10.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -164.86 -55.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 10.0 110.03 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -117.18 -60.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 10.0 109.233 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.64 -66.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 10.0 109.378 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 54.07 100.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.516 1.135 . . . . 10.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 61' ' ' LYS . 18.2 Cg_endo -75.06 -93.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 10.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.5 m 69.09 -57.63 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 10.0 110.473 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 59' ' ' PRO . 7.8 mttt -74.85 -0.32 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 10.0 109.229 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.436 ' C ' ' N ' ' A' ' 64' ' ' GLY . 0.1 OUTLIER 82.83 -53.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 10.0 108.255 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 64' ' ' GLY . . . -40.68 -26.64 0.14 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 10.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 62' ' ' CYS . . . -35.35 -65.81 0.41 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.018 -0.833 . . . . 10.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.1 p -117.84 -53.86 2.37 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.248 -1.019 . . . . 10.0 108.248 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.62 114.45 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 10.0 109.619 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.443 ' O ' ' CG2' ' A' ' 67' ' ' ILE . 13.7 tt -55.34 102.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 10.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 10.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 42.0 t 66.49 110.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 10.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.6 t -131.47 159.69 42.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 10.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.5 m -131.65 117.88 19.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 10.0 110.429 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -106.62 98.73 8.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 10.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.23 111.93 13.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 10.0 110.243 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -110.8 175.31 5.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 10.0 109.251 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -79.08 -44.87 21.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 10.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -91.59 52.07 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 10.0 109.225 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.99 -138.48 14.48 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 10.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 176.64 135.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 10.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p -107.67 120.21 58.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 109.305 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.5 m -105.39 107.37 18.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 10.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.466 ' CD1' ' N ' ' A' ' 15' ' ' PHE . 3.5 m-30 -67.52 154.58 41.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 10.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.6 ' HB2' ' CD2' ' A' ' 20' ' ' HIS . 1.2 m-20 -131.26 113.66 14.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 10.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -117.83 -63.04 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 10.0 109.564 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.8 OUTLIER -67.3 -46.81 72.46 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 10.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.36 -39.2 82.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.6 ' CD2' ' HB2' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -76.18 -62.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 10.0 109.631 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -36.68 -35.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.402 1.064 . . . . 10.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.5 mm-40 -43.35 -54.36 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 10.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -111.74 -51.27 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 10.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.486 ' CD1' ' CD2' ' A' ' 20' ' ' HIS . 0.4 OUTLIER -45.69 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 10.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.39 -169.41 24.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.577 1.173 . . . . 10.0 110.942 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.465 ' C ' ' N ' ' A' ' 28' ' ' ALA . 1.8 m -89.63 -64.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.274 -1.01 . . . . 10.0 108.274 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.32 -28.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.465 ' N ' ' C ' ' A' ' 26' ' ' CYS . . . -40.12 -59.21 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 10.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.24 -42.09 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 10.0 108.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -93.14 -153.47 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 10.0 109.617 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -154.03 -131.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 10.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.24 -11.86 68.16 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.542 1.151 . . . . 10.0 111.022 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 m -148.97 106.11 3.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 10.0 110.412 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 165.81 30.55 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.481 1.779 . . . . 10.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 175.04 166.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 10.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.415 ' CG ' ' H ' ' A' ' 38' ' ' ALA . 2.2 ttmt -59.85 127.52 32.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 10.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 38' ' ' ALA . 20.0 mt -96.36 32.57 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 10.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 37' ' ' ILE . . . 28.9 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 10.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.5 mm -85.05 116.64 28.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 10.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' ALA . 2.0 m-20 178.25 170.01 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 10.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' SER . 6.5 mtpp -39.14 151.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 10.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 41' ' ' LYS . 16.4 mttt 68.1 -69.01 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 10.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -53.2 -70.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 10.0 109.882 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' ASP . . . -56.73 -18.19 11.67 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 10.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -92.2 2.36 56.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 10.0 109.587 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 48' ' ' ALA . 2.7 mttp -111.55 -162.9 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 10.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 48' ' ' ALA . 5.5 m-20 -39.54 -29.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 10.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' LYS . . . -37.0 -63.1 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 10.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -101.99 -77.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 10.0 108.273 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB2' ' CD ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -39.31 98.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 10.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' CYS . 1.6 t -176.11 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 10.0 110.435 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 53' ' ' HIS . 1.5 t -105.9 -66.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 10.0 108.367 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' CYS . 8.0 m170 -37.65 -49.15 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 10.0 109.586 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.475 ' CD ' ' HB2' ' A' ' 50' ' ' LYS . 2.2 mtpm? -77.53 64.92 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 10.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -177.08 -48.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 10.0 109.97 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' ASN . 4.9 t30 -102.39 -62.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 10.0 109.343 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 56' ' ' ASN . 1.3 m-20 -43.17 164.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 10.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.422 ' N ' ' CD ' ' A' ' 59' ' ' PRO . . . -75.32 -55.72 5.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.094 . . . . 10.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.442 ' HB2' ' N ' ' A' ' 64' ' ' GLY . 18.4 Cg_endo -74.99 174.32 12.98 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.489 1.783 . . . . 10.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.36 -45.71 0.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 10.0 110.398 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLY . 1.6 ptpt -118.18 132.36 56.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 10.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.6 m 66.6 -77.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 10.0 108.275 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -50.26 -20.87 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 10.0 111.069 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.442 ' N ' ' HB2' ' A' ' 59' ' ' PRO . . . -63.54 -93.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.027 -0.829 . . . . 10.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.6 m -66.91 -59.64 3.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.316 -0.994 . . . . 10.0 108.316 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -63.14 146.26 53.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 10.0 109.591 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 92.6 mt -137.96 74.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 10.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 10.0 109.254 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.2 p -155.67 69.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 10.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 t -59.12 171.33 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 10.0 109.285 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.46 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 1.6 m -151.19 166.12 31.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 10.0 110.393 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.727 ' CD2' ' CE2' ' A' ' 15' ' ' PHE . 16.4 m-85 -158.59 73.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 10.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -69.13 145.34 53.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 10.0 110.318 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 1.7 p30 -133.24 177.13 7.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 10.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -60.66 3.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.6 1.187 . . . . 10.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -46.01 -75.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 10.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -124.46 -122.02 2.63 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.443 1.09 . . . . 10.0 111.04 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t30 176.25 119.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.404 0.708 . . . . 10.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.48 ' CG1' ' HB2' ' A' ' 6' ' ' TYR . 14.6 p -90.67 169.11 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 10.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 45.9 m -150.47 113.47 4.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 10.0 110.365 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.727 ' CE2' ' CD2' ' A' ' 6' ' ' TYR . 10.0 m-30 -87.02 154.99 20.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 10.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.535 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 36.3 m-20 -127.34 126.94 43.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 10.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.61 -55.25 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 10.0 109.615 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -94.03 -12.0 29.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 10.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.29 -27.66 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 10.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.535 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -95.84 -43.26 7.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 10.0 109.616 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.12 -18.75 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 10.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.3 mm-40 -56.07 -45.9 79.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 10.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.13 -43.5 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 10.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.81 -98.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 10.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.99 -169.27 25.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 10.0 111.006 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.4 m -89.94 -56.23 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -56.37 -18.3 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 10.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.53 -60.75 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 10.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.29 -36.68 9.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 10.0 108.331 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.477 ' CE1' HD13 ' A' ' 37' ' ' ILE . 45.9 m-70 -93.23 -177.49 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 10.0 109.571 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -179.18 110.89 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 10.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 33' ' ' THR . . . 63.35 87.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 10.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 32' ' ' GLY . 24.0 m 71.75 104.97 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 10.0 110.345 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 160.78 39.4 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 10.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -162.81 -173.14 3.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 10.0 109.337 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.94 115.58 15.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 10.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.477 HD13 ' CE1' ' A' ' 30' ' ' HIS . 42.8 mt -79.8 149.82 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 10.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.596 ' O ' ' HB ' ' A' ' 39' ' ' ILE . . . -60.13 -122.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 10.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.596 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 1.0 OUTLIER 90.54 149.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 10.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.7 OUTLIER 154.83 173.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 10.0 109.351 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -65.54 63.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 10.0 109.333 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' ASP . 2.0 tttt 174.05 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 10.0 109.268 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 5.9 t -107.0 -37.29 6.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 10.0 109.997 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 40' ' ' ASP . . . -56.91 -18.01 11.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 10.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -99.25 -0.5 41.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 10.0 109.559 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.53 -154.87 0.52 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 10.0 109.258 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.14 -24.97 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 10.0 109.359 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -40.29 -71.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.162 . . . . 10.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -107.55 -52.14 2.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 10.0 108.278 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 51' ' ' THR . 3.1 mtpp -61.27 96.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER 167.9 -72.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 10.0 110.385 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.405 ' N ' ' CG2' ' A' ' 51' ' ' THR . 1.7 t -63.69 -43.72 95.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 10.0 108.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -59.05 -33.67 71.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 10.0 109.581 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -73.82 67.68 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 10.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.7 -73.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 10.0 110.003 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -77.47 -84.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.404 1.065 . . . . 10.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -99.67 -67.13 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 10.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 57.69 158.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 10.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.437 ' HB3' ' N ' ' A' ' 65' ' ' CYS . 18.1 Cg_endo -75.04 -166.86 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.528 1.804 . . . . 10.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 178.29 -44.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 10.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.585 ' O ' ' N ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER -124.39 68.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 10.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.546 ' O ' ' C ' ' A' ' 63' ' ' GLY . 85.4 m 52.22 -85.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 10.0 108.306 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -23.76 -46.49 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.509 1.131 . . . . 10.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -35.6 -47.53 0.89 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.042 -0.823 . . . . 10.0 111.042 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.437 ' N ' ' HB3' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -103.71 -69.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.304 -0.999 . . . . 10.0 108.304 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 63' ' ' GLY . 18.6 m-70 -61.03 153.85 24.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 10.0 109.602 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.2 mt -84.07 91.74 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.436 1.085 . . . . 10.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 tptp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 10.0 109.286 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 3' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.47 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 3.0 t 83.89 111.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 10.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.2 t -104.72 149.58 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 10.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 m -117.62 119.42 34.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 10.0 110.374 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -103.43 156.44 17.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 10.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -135.5 143.45 45.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 10.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -153.25 -178.13 6.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 109.244 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -93.44 32.34 1.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 10.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -165.46 60.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 10.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.06 -148.52 21.55 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 10.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -166.23 151.12 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 10.0 109.381 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.6 p -124.82 96.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 10.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -77.25 85.33 3.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -47.44 162.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 10.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.55 ' CB ' ' ND1' ' A' ' 20' ' ' HIS . 1.1 m-20 -124.91 130.41 52.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 10.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.41 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -118.05 -54.71 2.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 10.0 109.586 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -86.64 -40.16 15.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 10.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.91 -31.08 72.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 10.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.55 ' ND1' ' CB ' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -87.9 -53.07 4.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 10.0 109.619 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -38.34 -30.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 10.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' HIS . 1.7 mt-10 -54.29 -50.74 66.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 10.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' HIS . 6.6 mmtm -95.18 -56.58 2.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 10.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.509 HD11 ' CD2' ' A' ' 20' ' ' HIS . 7.5 mp -45.38 -91.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 121.38 34.14 0.9 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.562 1.164 . . . . 10.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER 65.04 -75.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.279 -1.008 . . . . 10.0 108.279 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 25' ' ' GLY . 30.4 m-20 -38.12 -40.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 10.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -39.57 -30.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 10.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.478 ' SG ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -118.81 -65.42 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 10.0 108.331 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -68.37 -174.37 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 10.0 109.584 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.32 107.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 10.0 110.262 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.16 101.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 10.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.0 m 57.41 103.47 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.375 0.691 . . . . 10.0 110.466 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 -160.03 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 10.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 34' ' ' PRO . . . 166.16 -46.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 10.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.29 178.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 10.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 38' ' ' ALA . 3.7 mt -138.59 155.14 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 10.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.409 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -92.5 80.87 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 10.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.8 mm -101.79 127.47 55.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.164 . . . . 10.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER 175.52 162.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 10.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 10.8 mttm -39.48 141.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 10.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 3.6 tttp 87.85 -61.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 10.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -70.95 -63.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 10.0 109.93 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.27 -15.16 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 10.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.422 ' C ' ' CG ' ' A' ' 46' ' ' LYS . 13.3 m170 -92.78 -41.39 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 10.0 109.601 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 43' ' ' SER . 19.3 mttt -151.45 161.42 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 10.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 t70 60.95 15.19 5.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 10.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -150.51 -45.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.63 1.206 . . . . 10.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' THR . 6.0 m -111.1 -68.29 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 10.0 108.223 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.419 ' NZ ' ' O ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -61.38 84.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 10.0 109.252 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' CYS . 14.7 t -171.58 -41.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 10.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.7 t -102.37 -13.22 17.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 10.0 108.364 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -96.06 17.43 15.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.604 1.19 . . . . 10.0 109.597 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -99.26 55.27 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 10.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.0 t -175.69 -55.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.498 1.124 . . . . 10.0 109.925 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -58.14 -169.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 10.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -129.74 127.41 40.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 10.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.43 -111.75 0.44 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 10.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 61' ' ' LYS . 18.3 Cg_endo -75.02 -90.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.505 1.792 . . . . 10.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.419 ' O ' ' NZ ' ' A' ' 50' ' ' LYS . 50.9 m 68.9 -58.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 10.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -93.2 164.59 13.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 10.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 61' ' ' LYS . 1.8 t -49.53 175.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 10.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.1 35.61 4.83 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.495 1.122 . . . . 10.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.98 -73.77 0.64 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.0 -0.84 . . . . 10.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.05 -43.33 99.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.237 -1.023 . . . . 10.0 108.237 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -69.81 106.11 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 109.62 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.0 mm -79.81 78.35 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 10.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 10.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.333 -0.618 . . . . 10.0 109.333 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.459 ' CG2' ' O ' ' A' ' 15' ' ' PHE . 13.6 p -174.28 114.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.3 t -82.3 132.5 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 10.0 109.231 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.6 m -104.88 139.77 39.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 10.0 110.429 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -130.37 99.47 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 110.954 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.77 135.97 45.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 10.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -150.98 173.95 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 10.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -86.8 -68.84 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 10.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -46.84 -58.43 3.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.509 1.131 . . . . 10.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.22 149.29 13.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 10.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -93.16 151.81 19.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 10.0 109.345 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.7 p -129.3 78.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 10.0 109.247 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.9 m -68.98 114.88 7.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 10.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.459 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 91.1 m-85 -66.13 -170.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 10.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.516 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -150.13 111.46 4.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 10.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.19 -56.9 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 10.0 109.574 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.76 -17.75 26.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.5 -23.24 46.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 10.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.516 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -101.79 -51.84 3.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 10.0 109.559 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -47.52 -41.25 20.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 10.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' ALA . 8.3 pt-20 -37.55 -31.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 10.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . 8.9 mmtp -127.31 -47.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 10.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' HIS . 0.3 OUTLIER -59.7 -100.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 10.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.54 173.19 14.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.474 1.108 . . . . 10.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -81.26 -28.58 34.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -84.95 -3.33 58.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 10.0 109.329 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.91 -15.59 26.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 10.0 109.326 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.1 m -127.95 -48.24 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 10.0 108.279 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' CYS . 57.0 m-70 -107.48 -164.28 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 10.0 109.588 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 2.3 mt-10 166.66 142.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 10.0 110.342 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.17 -60.84 1.43 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 10.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -149.15 111.32 3.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 10.0 110.43 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 114.7 4.09 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 10.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.64 160.82 37.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 10.0 109.342 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -46.48 103.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 10.0 109.346 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.461 ' CG2' ' N ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -61.0 171.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 10.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' N ' ' CG2' ' A' ' 37' ' ' ILE . . . -60.21 -117.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 10.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.402 ' C ' ' CG ' ' A' ' 40' ' ' ASP . 4.8 mm 65.8 104.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 10.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' CG ' ' C ' ' A' ' 39' ' ' ILE . 0.0 OUTLIER 167.27 114.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 10.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' SER . 0.7 OUTLIER 66.86 -136.91 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 10.0 109.354 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -68.31 69.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 10.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -151.59 -61.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 10.0 110.001 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.7 -15.17 17.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 10.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -96.84 -1.02 46.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 10.0 109.604 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.2 -160.05 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 10.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -52.02 -21.83 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 10.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -40.01 -54.57 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 10.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 m -105.06 -80.72 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 10.0 108.284 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 51' ' ' THR . 1.2 ptmt -41.7 105.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 10.0 109.354 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.422 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER 171.74 -53.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 10.0 110.46 -179.894 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 48.0 t -104.55 40.94 1.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 10.0 108.325 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -133.13 -45.73 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 10.0 109.549 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -43.16 -33.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 10.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.9 t -48.96 -68.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 10.0 110.063 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -98.6 -67.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 10.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -162.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 10.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.44 65.7 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 10.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.37 3.93 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.503 1.791 . . . . 10.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -67.73 -68.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 10.0 110.463 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -72.45 151.42 42.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 10.0 109.243 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.2 m -48.75 153.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 108.291 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.56 -38.45 3.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.466 1.104 . . . . 10.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.18 -80.93 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.6 p -92.66 -49.86 5.88 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.298 -1.001 . . . . 10.0 108.298 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.66 150.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 10.0 109.578 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.5 mm -121.37 89.19 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 10.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 10.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.521 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.523 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 1.0 OUTLIER 73.32 99.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 109.359 -179.917 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.559 HG13 ' CE1' ' A' ' 6' ' ' TYR . 3.9 t -124.91 156.31 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 10.0 109.361 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -132.3 97.16 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 10.0 110.431 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.559 ' CE1' HG13 ' A' ' 4' ' ' VAL . 20.0 m-85 -87.15 102.03 14.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 10.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.67 51.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 10.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -47.48 172.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 10.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -41.35 12.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -93.81 52.18 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 10.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.01 -141.69 17.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.551 1.157 . . . . 10.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 175.77 132.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 0.81 . . . . 10.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.68 109.6 27.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 10.0 109.273 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -105.79 123.17 47.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 10.0 110.427 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -86.92 -174.14 4.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 10.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.602 ' OD1' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -154.51 40.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.521 ' HB3' ' N ' ' A' ' 2' ' ' ASP . 6.6 t-80 -34.5 -51.71 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 10.0 109.54 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -59.52 -78.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 10.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.97 -46.29 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 10.0 109.354 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.602 ' CE1' ' OD1' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -59.5 -58.91 6.53 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 10.0 109.626 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -35.7 -34.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 20' ' ' HIS . 2.1 mt-10 -62.49 -57.18 12.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 10.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 20' ' ' HIS . 10.1 mmtt -78.82 -50.33 11.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 10.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.495 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 8.4 mp -57.78 -111.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 10.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 139.57 40.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.141 . . . . 10.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.519 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 61.98 -78.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.274 -1.009 . . . . 10.0 108.274 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER -31.23 -40.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 10.0 109.241 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.495 ' HB1' ' HB3' ' A' ' 24' ' ' LEU . . . -40.15 -58.08 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 10.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -94.65 -47.38 6.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 10.0 108.26 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.513 ' CE1' HD11 ' A' ' 37' ' ' ILE . 72.9 m-70 -78.44 -154.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 10.0 109.554 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -178.75 98.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 10.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.41 94.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.526 1.141 . . . . 10.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.0 m 68.43 104.65 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 10.0 110.358 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.456 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.2 Cg_endo -75.04 -163.64 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.802 . . . . 10.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 177.07 -52.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 10.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.72 -175.96 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.513 HD11 ' CE1' ' A' ' 30' ' ' HIS . 34.3 mt -153.33 145.88 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 10.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.42 ' N ' HG23 ' A' ' 37' ' ' ILE . . . -89.15 95.36 10.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 10.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.1 mm -113.92 104.85 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 10.0 109.257 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.6 OUTLIER -165.77 169.03 15.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.9 65.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 10.0 109.332 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' ASP . 4.0 tttm -175.51 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 10.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.2 -39.25 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 10.0 110.009 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.69 -17.2 13.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 10.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -95.11 -1.43 52.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 10.0 109.615 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.457 ' C ' ' N ' ' A' ' 48' ' ' ALA . 2.5 mttt -107.0 -163.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.7 OUTLIER -42.08 -27.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.457 ' N ' ' C ' ' A' ' 46' ' ' LYS . . . -37.2 -61.65 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 10.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -101.84 -76.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.62 1.2 . . . . 10.0 108.254 -179.953 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -47.62 95.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 10.0 109.262 -179.928 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -172.6 -55.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 10.0 110.423 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.08 -55.8 4.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 10.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -50.96 -25.52 4.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 109.59 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -53.14 -68.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.347 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.52 56.63 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 10.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 177.67 -176.97 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 10.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -61.82 100.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 10.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.01 113.95 0.36 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.575 1.172 . . . . 10.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.419 ' O ' ' HA3' ' A' ' 64' ' ' GLY . 18.4 Cg_endo -75.01 78.32 2.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.435 1.755 . . . . 10.0 111.069 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.7 t -73.08 53.94 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 10.0 110.353 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -115.07 -32.52 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 10.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.5 t 177.0 -54.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 10.0 108.272 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.67 39.43 2.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.559 1.162 . . . . 10.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 65' ' ' CYS . . . -91.56 46.96 2.78 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.987 -0.845 . . . . 10.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 64' ' ' GLY . 1.6 p 160.24 -50.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.325 -0.991 . . . . 10.0 108.325 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -60.65 115.23 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 109.585 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mt -85.11 101.71 9.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 10.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.1 tttp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 10.0 109.29 -179.982 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.474 ' O ' ' CG2' ' A' ' 4' ' ' VAL . 2.7 t 60.19 168.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 10.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 3' ' ' VAL . 29.6 t -158.64 71.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 10.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 6' ' ' TYR . 19.5 m -40.2 147.84 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 10.0 110.409 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.44 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 0.2 OUTLIER -143.48 84.95 1.82 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.545 1.153 . . . . 10.0 110.912 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -54.07 139.76 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.393 1.058 . . . . 10.0 110.333 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 6' ' ' TYR . 7.8 m-80 -135.03 -177.49 4.66 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.14 . . . . 10.0 109.368 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -100.61 -27.13 13.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 10.0 109.327 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.6 68.41 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 10.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.07 122.97 0.45 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.582 1.176 . . . . 10.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -70.32 153.27 43.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 0.773 . . . . 10.0 109.329 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.463 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 2.5 p -122.09 47.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 10.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -43.44 94.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 10.0 110.358 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 13' ' ' VAL . 52.0 m-85 -56.36 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 10.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.559 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 16.5 m-20 -145.81 127.73 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 10.0 109.332 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.17 -59.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 10.0 109.551 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 30.5 tttt -68.51 -52.03 36.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 10.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.31 -40.7 71.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 10.0 109.254 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 15.2 m170 -72.62 -65.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 10.0 109.536 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -39.18 -44.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 10.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.6 mm-40 -38.67 -57.0 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.132 . . . . 10.0 110.251 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -89.5 -42.17 11.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 10.0 109.224 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.511 HD12 ' CA ' ' A' ' 20' ' ' HIS . 7.3 mp -65.78 -109.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 109.236 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 137.24 39.35 0.13 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.482 1.114 . . . . 10.0 111.017 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 67.84 -68.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.305 -0.998 . . . . 10.0 108.305 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' GLY . 7.5 m-20 -42.69 -46.56 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 10.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.483 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -45.1 -26.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 10.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' CYS . 75.0 m -115.85 -66.18 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 10.0 108.34 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 26' ' ' CYS . 20.8 m-70 -80.18 -165.59 0.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 10.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.66 88.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.25 80.66 1.22 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 10.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 m 72.68 104.83 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.426 0.721 . . . . 10.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -178.65 4.32 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.798 . . . . 10.0 111.001 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 172.88 161.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 10.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -56.3 108.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 10.0 109.254 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.0 mt -75.17 148.09 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 10.0 109.34 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.98 77.75 5.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.13 . . . . 10.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.2 mm -100.18 129.05 51.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 10.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.54 -52.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 10.0 109.319 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 178.23 92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 10.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 8.0 mttt 169.45 -39.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 10.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -116.25 -48.62 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.96 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 49' ' ' CYS . . . -53.91 -15.74 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 10.0 109.361 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.424 ' N ' ' C ' ' A' ' 43' ' ' SER . 4.7 m170 -92.7 -43.11 9.24 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 10.0 109.651 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.502 ' O ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -149.73 168.94 22.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 10.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 45.22 35.88 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 10.0 109.325 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -168.59 -48.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 10.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 50' ' ' LYS . 60.3 m -109.23 -74.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.14 . . . . 10.0 108.267 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -38.25 -57.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.177 . . . . 10.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 m -40.89 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 10.0 110.444 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 21.3 t -84.82 105.78 15.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 10.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.466 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.3 OUTLIER 163.51 -28.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.486 1.116 . . . . 10.0 109.61 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -68.74 62.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 10.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -174.81 -42.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.963 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.03 -57.91 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 10.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.64 -155.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.611 1.194 . . . . 10.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -174.22 79.45 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.575 1.172 . . . . 10.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.452 ' HA ' ' CA ' ' A' ' 64' ' ' GLY . 18.5 Cg_endo -74.87 144.15 30.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 10.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.509 ' O ' ' O ' ' A' ' 61' ' ' LYS . 12.7 m -150.57 52.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 10.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.509 ' O ' ' O ' ' A' ' 60' ' ' THR . 0.1 OUTLIER 44.15 99.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 10.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 61' ' ' LYS . 6.7 m 82.09 -67.11 0.1 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.556 1.16 . . . . 10.0 108.33 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.48 -11.82 16.29 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.128 . . . . 10.0 110.987 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 59' ' ' PRO . . . -72.58 -65.85 2.22 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.988 -0.845 . . . . 10.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.8 p -141.37 62.54 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -163.73 96.72 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 10.0 109.568 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.484 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -51.34 179.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 10.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.484 ' N ' ' CG2' ' A' ' 67' ' ' ILE . 9.5 pttp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 10.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.552 ' O ' ' CB ' ' A' ' 3' ' ' VAL . 1.2 t0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.552 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 89.16 147.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 10.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.423 ' CG1' ' O ' ' A' ' 4' ' ' VAL . 77.8 t -153.91 55.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 10.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -42.91 159.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 10.0 110.34 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.436 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 13.6 m-85 -136.95 109.34 7.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 10.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -62.55 139.86 58.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 10.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -149.67 -175.67 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 10.0 109.294 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.56 -2.86 14.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 10.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 72.66 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 10.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.4 98.53 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 10.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.24 121.69 10.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 10.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.436 ' CG1' ' HB2' ' A' ' 6' ' ' TYR . 13.7 p -82.92 88.88 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 10.0 109.352 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -75.72 84.08 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 10.0 110.347 -179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -50.75 -178.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 10.0 110.993 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.486 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 3.7 m-20 -157.29 129.41 7.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 10.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -116.15 -58.26 2.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 10.0 109.569 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -43.68 71.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 10.0 109.272 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.27 -29.68 68.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 10.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 2.2 m170 -79.5 -55.87 4.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 10.0 109.619 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -48.07 -30.94 4.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.68 -58.93 3.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -90.52 -31.63 16.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 10.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.586 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -68.04 -105.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 10.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 129.5 34.65 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 10.0 111.029 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.547 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 66.57 -73.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.328 -0.989 . . . . 10.0 108.328 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER -43.17 -26.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 10.0 109.272 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.483 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . . . -61.83 -39.92 93.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 10.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.547 ' N ' ' O ' ' A' ' 26' ' ' CYS . 91.9 m -103.99 -52.76 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 10.0 108.339 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' CYS . 5.0 m-70 -95.05 -150.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 10.0 109.599 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -158.93 -144.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 10.0 110.279 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.452 ' N ' ' CG ' ' A' ' 31' ' ' GLU . . . -57.57 94.78 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.09 . . . . 10.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.0 m 69.95 105.33 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 10.0 110.375 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.499 1.789 . . . . 10.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 178.49 -57.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.378 1.049 . . . . 10.0 109.362 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.39 163.66 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.401 HD13 ' NE2' ' A' ' 30' ' ' HIS . 6.9 mt -122.89 156.83 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 10.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.24 96.05 6.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 10.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.0 mm -126.77 146.12 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 10.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 13.1 t0 -164.74 -63.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 10.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER 178.5 38.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 10.0 109.306 -179.928 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.2 -68.35 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 10.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 1.2 t -51.64 -52.53 47.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 10.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.48 -18.99 8.24 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 10.0 109.295 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -100.47 5.63 44.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 10.0 109.592 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 47' ' ' ASP . 5.5 mttt -119.4 -165.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 10.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 46' ' ' LYS . 4.7 m-20 -37.32 -34.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 10.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -38.11 -44.85 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.596 ' O ' ' C ' ' A' ' 50' ' ' LYS . 75.3 m -126.39 -106.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 10.0 108.32 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.596 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.2 OUTLIER 22.65 -95.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 10.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.523 ' C ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -28.96 -56.48 0.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 10.0 110.398 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' CYS . 8.0 t -85.92 77.62 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 10.0 108.339 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.484 ' HB3' ' CG ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER 172.28 -36.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 10.0 109.551 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -71.98 66.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 10.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.93 -58.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 10.0 110.046 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.99 -75.06 0.64 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 10.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -43.0 -48.53 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 10.0 109.257 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 59' ' ' PRO . . . 69.85 61.62 4.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 10.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.484 ' CG ' ' HB3' ' A' ' 53' ' ' HIS . 18.3 Cg_endo -75.06 -155.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 10.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.475 ' HB ' ' O ' ' A' ' 59' ' ' PRO . 4.3 m 67.69 30.31 6.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 10.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.03 22.24 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 10.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.2 m 51.34 31.55 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 10.0 108.288 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -150.31 19.41 1.05 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 10.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.53 -68.61 0.95 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -68.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.24 -1.022 . . . . 10.0 108.24 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -45.71 148.14 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 10.0 109.571 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 78.4 mt -110.21 101.25 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 10.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.138 . . . . 10.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.466 ' CB ' ' HG2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 p -178.19 77.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.391 1.057 . . . . 10.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.7 t -54.43 134.16 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 10.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.6 m -104.34 154.53 19.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 10.0 110.4 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 1.8 m-85 -148.55 81.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 10.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -73.4 125.45 27.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 10.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -128.89 171.33 12.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 10.0 109.352 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -62.46 -48.66 78.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 10.0 109.37 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 10.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.05 142.74 9.81 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.473 1.108 . . . . 10.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -62.34 126.25 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 10.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.38 54.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 10.0 109.338 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.95 134.63 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 10.0 110.458 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.492 ' CE1' ' CD1' ' A' ' 6' ' ' TYR . 6.9 m-85 -87.75 -173.69 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 10.0 110.958 -179.913 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.513 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 1.3 m-20 -146.84 121.39 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 10.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.48 -63.05 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 10.0 109.569 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.466 ' HG2' ' CB ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -86.15 -20.37 28.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 10.0 109.355 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.96 -27.49 39.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 10.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.513 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -94.87 -49.54 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 10.0 109.58 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -53.02 -51.68 60.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 10.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -39.04 -29.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 10.0 110.35 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.6 tttp -105.06 -64.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 10.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mp -57.65 -92.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' CYS . . . 123.59 66.67 0.21 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 10.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER 39.61 -146.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.244 -1.021 . . . . 10.0 108.244 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 26' ' ' CYS . 66.0 m-20 35.24 31.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 10.0 109.374 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -117.81 -61.35 1.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 10.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.96 5.16 18.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 10.0 108.316 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -117.21 177.27 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 10.0 109.634 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -178.85 121.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.98 92.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.541 1.151 . . . . 10.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.9 m 71.29 105.19 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.444 0.732 . . . . 10.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 126.68 10.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 10.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.45 -177.48 4.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 10.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.515 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -71.95 108.18 5.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 10.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 38' ' ' ALA . 38.8 mt -64.82 167.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 10.0 109.239 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' N ' ' CG2' ' A' ' 37' ' ' ILE . . . -94.28 90.36 6.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 10.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.6 mm -119.7 140.96 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 10.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 10.7 t70 -165.22 -67.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 10.0 109.337 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER 177.52 82.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 10.0 109.327 179.923 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm 173.14 -58.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 109.284 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -81.57 -36.73 28.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 10.0 109.972 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.502 ' HA ' ' CB ' ' A' ' 48' ' ' ALA . . . -65.15 -6.09 8.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 10.0 109.24 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -98.2 -4.06 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 10.0 109.569 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -169.4 -65.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.401 1.063 . . . . 10.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' SER . 27.7 m-20 -70.98 55.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 10.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.502 ' CB ' ' HA ' ' A' ' 44' ' ' ALA . . . 173.11 -76.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 10.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.568 ' O ' ' N ' ' A' ' 51' ' ' THR . 60.0 m -88.64 -129.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 10.0 108.313 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.559 ' O ' ' C ' ' A' ' 51' ' ' THR . 5.0 mmtp 28.78 -93.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 10.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.568 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -25.49 -50.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 10.0 110.363 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.476 ' N ' ' CG2' ' A' ' 51' ' ' THR . 9.0 t -96.23 85.01 3.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 10.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 175.23 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.614 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -66.66 72.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 10.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -157.03 -51.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 10.0 109.972 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -105.25 -60.52 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 10.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -86.49 -172.13 3.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 10.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -145.69 64.65 0.44 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 10.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.17 4.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 10.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 m -85.17 -49.78 7.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.087 . . . . 10.0 110.457 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -76.91 -156.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 10.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -107.4 43.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 10.0 108.278 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -126.65 -42.24 0.29 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.528 1.143 . . . . 10.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.13 -83.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.994 -0.842 . . . . 10.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -72.84 -64.95 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.325 -0.991 . . . . 10.0 108.325 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -64.88 103.56 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 10.0 109.605 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.7 mm -88.46 79.35 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 10.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 10.0 109.275 -179.995 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.454 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.433 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 17.8 t 66.4 81.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.507 HG13 ' CE1' ' A' ' 6' ' ' TYR . 10.0 t -105.8 164.54 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 10.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.505 ' N ' ' CG1' ' A' ' 4' ' ' VAL . 89.7 m -131.2 91.48 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 10.0 110.362 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.546 ' CD2' ' CZ ' ' A' ' 15' ' ' PHE . 4.2 m-30 -81.26 124.9 29.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 10.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -113.82 110.88 20.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 10.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -113.75 159.36 19.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 10.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -40.31 -50.48 2.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 10.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -79.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 10.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.38 -100.47 0.22 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 10.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -172.69 137.3 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 10.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 p -120.92 62.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -55.4 130.58 43.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 10.0 110.426 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.546 ' CZ ' ' CD2' ' A' ' 6' ' ' TYR . 8.8 m-85 -88.39 -173.57 4.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 10.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.592 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 1.2 m-20 -150.2 117.66 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 10.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.454 ' HB3' ' N ' ' A' ' 2' ' ' ASP . 9.3 t-80 -124.08 -65.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 109.6 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -21.77 64.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 10.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.79 -32.92 13.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 10.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.592 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -77.24 -35.34 55.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 10.0 109.583 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 17' ' ' HIS . . . -58.96 -15.1 11.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 10.0 109.329 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -79.55 -49.65 11.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 10.0 110.372 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -87.76 -53.74 4.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 10.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.522 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 6.6 mp -58.73 -114.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 10.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 145.87 38.01 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 10.0 110.961 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.547 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 65.48 -69.7 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.343 -0.984 . . . . 10.0 108.343 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 25' ' ' GLY . 2.4 m-20 -39.17 -28.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 10.0 109.251 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.522 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -62.61 -48.11 80.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 10.0 109.352 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.547 ' N ' ' O ' ' A' ' 26' ' ' CYS . 20.4 m -93.42 -50.72 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 10.0 108.254 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 26' ' ' CYS . 5.1 m-70 -95.26 179.34 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 10.0 109.644 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.14 94.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 10.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 33' ' ' THR . . . 84.72 82.83 1.02 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 10.0 111.042 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 32' ' ' GLY . 27.0 m 71.43 103.38 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 10.0 110.451 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 159.89 40.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.43 1.753 . . . . 10.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' LYS . . . -173.38 157.75 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HE3' ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.2 143.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 10.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.414 HD11 ' CE1' ' A' ' 30' ' ' HIS . 65.5 mt -119.01 146.28 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 10.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.43 91.03 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 10.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.42 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 3.7 mm -97.75 137.79 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 10.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER 162.01 165.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 10.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' ASP . 19.2 ttpt -42.37 163.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 10.0 109.322 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER 79.87 -70.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 10.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.456 ' C ' ' HB3' ' A' ' 48' ' ' ALA . 26.3 m -67.78 -67.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 10.0 109.934 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.468 ' HA ' ' CB ' ' A' ' 48' ' ' ALA . . . -55.15 -15.99 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 10.0 109.251 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.406 ' N ' ' C ' ' A' ' 43' ' ' SER . 1.6 m-70 -106.61 13.79 27.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 10.0 109.598 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 42' ' ' LYS . 26.2 tttm -131.41 -92.98 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 10.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.408 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 1.3 m-20 -122.89 65.97 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 10.0 109.206 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 44' ' ' ALA . . . -146.19 -45.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 10.0 109.216 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -113.35 -69.34 0.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 10.0 108.306 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' CYS . 49.1 mttt -39.97 -57.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 10.0 109.252 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 50' ' ' LYS . 2.2 t -38.03 -56.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 10.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 51.4 t -95.33 104.03 15.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.617 1.198 . . . . 10.0 108.295 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER 161.49 -47.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 10.0 109.572 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -46.5 -30.83 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 10.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.49 64.9 4.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 10.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 57' ' ' ASN . 9.2 t30 167.39 -87.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 10.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.433 ' HB2' ' ND2' ' A' ' 56' ' ' ASN . 1.8 t-20 -110.0 -42.86 4.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 10.0 109.339 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.447 ' N ' ' HD3' ' A' ' 59' ' ' PRO . . . 61.72 61.82 6.38 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 10.0 111.014 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 58' ' ' GLY . 18.2 Cg_endo -75.0 54.91 3.78 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.804 . . . . 10.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 t -101.27 53.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 10.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 63' ' ' GLY . 1.2 pttt -141.89 32.91 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 10.0 109.206 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 66' ' ' HIS . 1.1 m 68.54 -70.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 10.0 108.32 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -51.96 -20.21 6.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.555 1.16 . . . . 10.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.416 ' HA3' ' CB ' ' A' ' 59' ' ' PRO . . . -65.96 -64.04 3.64 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 39.8 m -91.25 -54.94 3.72 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.307 -0.997 . . . . 10.0 108.307 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 62' ' ' CYS . 55.6 m-70 -86.97 100.51 12.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 10.0 109.613 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.4 mt -78.21 69.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 10.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 10.0 109.263 179.949 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.509 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.509 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 13.2 t 69.51 97.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.502 1.126 . . . . 10.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.492 HG13 ' CE2' ' A' ' 6' ' ' TYR . 2.9 t -111.17 156.11 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 10.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.6 m -142.09 78.71 1.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 10.0 110.39 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CE2' HG13 ' A' ' 4' ' ' VAL . 31.6 m-85 -71.49 153.22 42.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 10.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -128.31 106.05 8.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 10.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 10' ' ' LYS . 3.2 p30 -111.77 -175.01 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -93.21 32.01 1.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 10.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 66' ' ' HIS . 0.4 OUTLIER -164.02 60.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 10.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.29 173.06 49.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 10.0 111.04 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -131.21 126.55 35.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 10.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.7 p -90.49 118.76 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 10.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.5 m -98.18 73.44 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 10.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.419 ' CZ ' HG22 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -42.49 161.37 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 10.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.579 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.3 OUTLIER -146.06 103.39 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -114.49 -49.09 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 10.0 109.623 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.63 -25.0 58.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 10.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.93 -39.68 15.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 10.0 109.267 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 1.5 m-70 -71.26 -47.06 59.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 10.0 109.548 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.32 -24.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 10.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 20' ' ' HIS . 1.9 mt-10 -71.24 -51.72 23.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 10.0 110.36 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -56.39 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.6 1.187 . . . . 10.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.529 ' CD2' ' CB ' ' A' ' 28' ' ' ALA . 6.4 mp -53.64 -101.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 10.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.12 40.85 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.437 1.086 . . . . 10.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 28' ' ' ALA . 1.6 m 72.08 -57.68 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.303 -0.999 . . . . 10.0 108.303 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.26 62.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.221 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -138.65 -55.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 10.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.47 -11.23 13.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 10.0 108.363 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.434 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 92.0 m-70 -104.23 -178.2 3.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 10.0 109.588 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 32' ' ' GLY . 14.5 tt0 -149.91 99.38 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 10.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . 46.9 99.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 10.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.4 m 67.66 104.88 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.568 0.805 . . . . 10.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.434 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.2 Cg_endo -75.0 178.39 7.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 10.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -166.94 -51.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 10.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -176.42 177.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 10.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.8 mt -151.92 150.54 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 10.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -101.34 106.07 17.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 10.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.419 HG22 ' CZ ' ' A' ' 15' ' ' PHE . 19.9 mm -116.82 130.76 71.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 10.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 42' ' ' LYS . 2.8 p30 179.64 163.9 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 10.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -65.85 71.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 10.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 40' ' ' ASP . 6.5 tttt -178.37 -43.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 10.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -106.52 -36.49 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 10.0 109.989 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.63 -16.09 14.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 10.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -97.56 -3.37 39.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.087 . . . . 10.0 109.568 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -105.04 -160.99 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 10.0 109.244 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' ALA . 16.7 p-10 -46.8 -26.97 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 10.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -37.96 -54.9 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 10.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 51' ' ' THR . 1.7 m -116.72 -73.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 10.0 108.271 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' CYS . 14.3 mmmt -38.46 99.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 10.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.485 ' CG2' ' N ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 176.96 -77.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.427 1.079 . . . . 10.0 110.378 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.485 ' N ' ' CG2' ' A' ' 51' ' ' THR . 0.2 OUTLIER -62.05 -52.83 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 10.0 108.259 -179.929 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -43.57 -44.42 6.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.638 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -69.88 79.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 10.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.39 -36.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.979 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -109.19 -75.77 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.608 1.193 . . . . 10.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -73.81 -177.04 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 10.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -135.14 69.07 0.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.573 1.17 . . . . 10.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.527 ' CB ' ' HA3' ' A' ' 64' ' ' GLY . 18.0 Cg_endo -75.08 -43.88 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.778 . . . . 10.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.585 ' O ' ' O ' ' A' ' 61' ' ' LYS . 9.9 t 38.26 36.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 10.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.585 ' O ' ' O ' ' A' ' 60' ' ' THR . 6.3 pttt 51.36 160.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 10.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 61' ' ' LYS . 10.6 m 39.99 89.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 10.0 108.284 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.59 -18.6 8.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 10.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.527 ' HA3' ' CB ' ' A' ' 59' ' ' PRO . . . -91.06 -78.92 1.38 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 m -76.53 -59.64 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 10' ' ' LYS . 91.7 m-70 -74.15 90.65 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 10.0 109.529 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.4 mt -88.57 94.07 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 10.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 10.0 109.285 -179.99 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.518 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 2.9 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.314 -0.625 . . . . 10.0 109.314 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.537 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 3.5 t 68.48 72.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 10.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.673 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 11.8 t -98.64 147.59 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 10.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.1 m -121.52 111.43 17.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 10.0 110.376 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.673 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 8.8 m-30 -112.2 101.86 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 10.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -95.05 70.57 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 10.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 3.0 p30 -74.96 -176.07 2.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 10.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.72 -57.37 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 10.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -43.6 -81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 10.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -152.92 120.35 1.05 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.471 1.107 . . . . 10.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -53.29 138.9 31.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 10.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.7 p -137.01 72.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 10.0 109.354 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.6 m -70.84 101.71 2.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 10.0 110.349 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.411 ' CE2' ' CE2' ' A' ' 6' ' ' TYR . 2.9 m-85 -60.39 160.03 9.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 10.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.616 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -129.92 116.49 18.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 10.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.518 ' HB3' ' N ' ' A' ' 2' ' ' ASP . 7.9 t-80 -121.63 -64.89 1.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 10.0 109.583 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.76 -27.05 67.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 10.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.72 -35.64 24.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 10.0 109.276 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.616 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -76.02 -52.41 10.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 10.0 109.556 -179.944 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.02 -25.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 20' ' ' HIS . 3.6 mm-40 -40.87 -51.46 3.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 10.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -124.11 -48.54 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 10.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.482 ' CD2' ' HB1' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -40.22 -86.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 10.0 109.278 179.945 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.8 -171.69 22.27 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.528 1.142 . . . . 10.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.453 ' C ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -89.83 -60.2 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.009 . . . . 10.0 108.277 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 30' ' ' HIS . 1.5 m-20 -41.79 -26.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 10.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.482 ' HB1' ' CD2' ' A' ' 24' ' ' LEU . . . -41.85 -47.09 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 10.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.43 ' CB ' HD13 ' A' ' 37' ' ' ILE . 1.7 m -107.8 -56.79 2.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 10.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.508 ' CD2' ' HB3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -79.58 -172.78 3.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 10.0 109.583 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -178.85 91.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 10.0 110.269 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.97 71.59 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 10.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.1 m 64.24 106.34 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 10.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.508 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -74.98 -177.55 3.54 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 10.0 111.054 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -178.27 -39.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 10.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER 178.99 156.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 10.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.43 HD13 ' CB ' ' A' ' 29' ' ' CYS . 36.9 mt -122.54 -1.57 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 39.66 90.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 10.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.8 mm -102.3 115.38 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 10.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 42' ' ' LYS . 4.0 t70 -163.43 165.91 23.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 10.0 109.238 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 10.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -178.63 -38.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 10.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -113.29 -44.43 3.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 10.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.459 ' HA ' ' CB ' ' A' ' 48' ' ' ALA . . . -54.01 -20.63 6.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 10.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -89.37 7.71 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 10.0 109.691 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -119.39 -159.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 109.237 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 48' ' ' ALA . 2.3 m-20 -40.08 -31.91 0.15 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.422 1.076 . . . . 10.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -36.24 -57.66 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 10.0 109.346 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.0 -74.51 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 10.0 108.28 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.32 101.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 52' ' ' CYS . 0.8 OUTLIER -176.32 -77.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 10.0 110.373 -179.928 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.49 ' N ' ' CG2' ' A' ' 51' ' ' THR . 0.5 OUTLIER -77.5 -44.48 28.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 10.0 108.319 179.944 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.439 ' CG ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -53.15 -52.55 58.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 10.0 109.586 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -80.23 65.34 5.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 10.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -153.06 -51.42 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 10.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -93.91 -78.07 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 10.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -154.74 116.16 4.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 10.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.57 -140.41 6.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.104 . . . . 10.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 18.4 Cg_endo -74.92 171.7 17.79 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.483 1.781 . . . . 10.0 110.951 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.3 t -178.2 -47.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 10.0 110.366 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.17 -109.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 10.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 64' ' ' GLY . 0.5 OUTLIER -112.53 -65.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 10.0 108.211 -179.916 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.74 69.16 0.29 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.512 1.133 . . . . 10.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -127.87 -84.6 0.46 Allowed Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.434 ' N ' ' HB3' ' A' ' 59' ' ' PRO . 3.0 p -79.51 -43.76 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -68.31 103.96 1.73 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 10.0 109.574 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.4 mt -79.37 77.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 10.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 10.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.516 ' C ' ' CG1' ' A' ' 3' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.309 -0.626 . . . . 10.0 109.309 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.516 ' CG1' ' C ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 72.78 145.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 10.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.32 150.79 34.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 10.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m -114.86 121.38 43.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 10.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -110.49 150.42 28.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 10.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -118.08 127.8 54.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 10.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -130.64 179.85 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 10.0 109.293 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.3 23.74 7.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 -79.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 10.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 12' ' ' ASN . . . -161.47 37.18 0.4 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.531 1.145 . . . . 10.0 110.958 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 11' ' ' GLY . 43.0 m-20 47.36 -173.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 0.784 . . . . 10.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.446 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 1.5 p -169.17 62.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 10.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 m -52.89 136.19 34.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 10.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -99.23 -173.01 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 10.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.589 ' OD1' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -151.07 115.46 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 10.0 109.268 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -46.48 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 10.0 109.632 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 6.3 tttt -88.29 -36.09 16.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 10.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.01 79.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 10.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.589 ' CE1' ' OD1' ' A' ' 16' ' ' ASP . 10.3 m170 -79.3 -63.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 109.621 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -38.62 -31.28 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 10.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.6 mm-40 -52.23 -55.66 19.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.389 1.056 . . . . 10.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.1 -40.9 11.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 10.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.536 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 6.0 mp -68.83 -119.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 10.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 154.86 41.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.148 . . . . 10.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER 65.03 -74.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.317 -0.994 . . . . 10.0 108.317 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 25' ' ' GLY . 1.9 t70 -32.14 -38.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 10.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.536 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -41.54 -51.92 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 10.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 26' ' ' CYS . 0.8 OUTLIER -106.07 -46.55 4.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 10.0 108.358 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.57 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 22.1 m-70 -94.93 -150.52 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 10.0 109.621 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -173.1 -150.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 10.0 110.298 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.01 -25.28 0.95 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 10.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.4 m -151.05 106.86 3.01 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 10.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.587 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 18.5 Cg_endo -74.9 -84.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.469 1.773 . . . . 10.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.587 ' CB ' ' O ' ' A' ' 34' ' ' PRO . . . 90.6 -69.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 10.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -177.25 175.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 10.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.569 HD13 ' CE1' ' A' ' 30' ' ' HIS . 62.9 mt -140.48 162.12 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.72 93.4 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 10.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.458 ' CG2' ' HB3' ' A' ' 44' ' ' ALA . 28.8 mm -106.62 95.89 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 10.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 172.44 152.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt 70.24 -144.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 10.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -84.29 50.45 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 10.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -130.35 -62.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.39 1.056 . . . . 10.0 110.085 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.458 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . . . -57.54 -17.82 15.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.112 . . . . 10.0 109.414 179.9 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -96.43 -2.36 45.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 109.586 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 48' ' ' ALA . 2.6 tttt -102.61 -158.49 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 48' ' ' ALA . 19.2 m-20 -42.87 -29.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 10.0 109.364 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.452 ' HB3' ' CD1' ' A' ' 39' ' ' ILE . . . -38.87 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 84.5 m -92.43 -61.76 1.54 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 10.0 108.345 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 51' ' ' THR . 0.3 OUTLIER -58.35 102.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 10.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.458 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER 168.84 -65.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 10.0 110.385 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.432 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 18.7 t -100.16 72.64 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.12 . . . . 10.0 108.342 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 0.3 OUTLIER -159.02 -44.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 10.0 109.624 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.83 62.76 5.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 10.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -132.06 -54.75 0.98 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.559 1.162 . . . . 10.0 110.054 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -112.53 -60.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 10.0 109.232 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -149.74 97.37 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 10.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.13 121.8 1.78 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.413 1.071 . . . . 10.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.477 ' HG2' ' CA ' ' A' ' 64' ' ' GLY . 18.2 Cg_endo -75.03 82.06 2.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.782 . . . . 10.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.6 t -89.12 24.7 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 10.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -106.97 57.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 10.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.3 t 64.43 135.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 10.0 108.269 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . 75.13 -101.73 1.38 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 10.0 110.985 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.477 ' CA ' ' HG2' ' A' ' 59' ' ' PRO . . . 68.13 -54.95 0.42 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.036 -0.826 . . . . 10.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.8 OUTLIER -97.16 -21.26 17.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.245 -1.02 . . . . 10.0 108.245 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -77.5 87.65 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 10.0 109.641 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.445 ' O ' ' CG2' ' A' ' 67' ' ' ILE . 3.8 tt -48.71 114.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 10.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 10.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.45 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 46.6 m-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 4' ' ' VAL . 73.2 t -129.53 137.93 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 10.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.409 ' N ' HG13 ' A' ' 3' ' ' VAL . 1.4 m -120.75 162.72 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 10.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -154.25 112.57 3.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 110.445 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -94.82 143.85 26.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 10.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.51 120.91 20.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 10.0 110.293 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.459 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 23.0 m-20 -111.84 -11.25 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 10.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 8' ' ' ASN . 3.1 tptm 85.05 -49.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 10.0 109.233 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.48 67.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 10.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.488 ' O ' ' CE1' ' A' ' 66' ' ' HIS . . . 100.24 93.42 2.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 10.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -69.61 133.17 47.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 10.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.572 HG13 ' CE2' ' A' ' 15' ' ' PHE . 9.8 p -73.98 95.67 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -73.0 60.3 0.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.148 . . . . 10.0 110.4 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.572 ' CE2' HG13 ' A' ' 13' ' ' VAL . 4.8 m-85 -47.38 173.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 10.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.438 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 18.1 m-20 -148.26 127.75 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 10.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -103.0 -47.85 4.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 10.0 109.618 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -90.18 -40.94 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.527 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -60.84 -31.55 70.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 10.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.438 ' ND1' ' HB2' ' A' ' 16' ' ' ASP . 8.8 m170 -84.25 -64.53 1.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 10.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -39.35 -54.14 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 10.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -37.22 -31.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 10.0 110.29 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.2 mmtt -103.33 -47.84 4.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 10.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.525 ' N ' HD12 ' A' ' 24' ' ' LEU . 3.7 mp -75.71 -115.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 10.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 159.34 37.74 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.463 1.102 . . . . 10.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.615 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER 70.68 -54.48 0.65 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.282 -1.007 . . . . 10.0 108.282 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 25' ' ' GLY . 62.1 m-20 -60.94 68.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 10.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.615 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -140.17 -59.37 0.54 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.566 1.166 . . . . 10.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.11 -8.83 13.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 10.0 108.403 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -102.19 -171.77 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.614 1.196 . . . . 10.0 109.583 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 170.96 101.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 10.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.17 91.66 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 10.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 m 68.3 105.44 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 10.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 148.88 36.0 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 10.0 111.047 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.85 175.01 14.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -67.65 107.05 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.601 1.188 . . . . 10.0 109.291 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.418 ' CG2' ' N ' ' A' ' 38' ' ' ALA . 28.5 mt -73.18 164.96 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 10.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' CG2' ' A' ' 37' ' ' ILE . . . -100.04 90.53 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 10.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.495 HG23 ' CB ' ' A' ' 44' ' ' ALA . 39.1 mm -96.77 137.29 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 10.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 175.45 -75.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 10.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -133.21 142.46 48.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 10.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.07 -57.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.525 ' C ' ' CB ' ' A' ' 48' ' ' ALA . 2.6 m -91.81 52.86 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 10.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.495 ' CB ' HG23 ' A' ' 39' ' ' ILE . . . -179.34 -36.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 10.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -103.97 2.7 32.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 10.0 109.606 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -123.05 -153.08 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 10.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -39.89 -38.46 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 10.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.525 ' CB ' ' C ' ' A' ' 43' ' ' SER . . . -38.4 -48.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' THR . 61.9 m -113.07 -71.44 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 10.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.13 88.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 10.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' CYS . 7.0 t -173.27 -42.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.0 t -99.71 -40.35 7.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 10.0 108.314 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.415 ' C ' ' N ' ' A' ' 55' ' ' SER . 5.4 m170 -58.16 -24.35 58.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 10.0 109.575 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -46.76 -25.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 10.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 53' ' ' HIS . 8.4 t -105.72 -56.06 2.24 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.129 . . . . 10.0 110.059 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -86.72 133.88 33.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 10.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.2 t-20 77.22 176.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 10.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.77 84.73 0.37 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.504 1.127 . . . . 10.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.524 ' O ' ' CB ' ' A' ' 60' ' ' THR . 18.1 Cg_endo -75.1 -160.53 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 10.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.524 ' CB ' ' O ' ' A' ' 59' ' ' PRO . 2.3 m 84.47 -49.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 10.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.27 173.21 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 10.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 m -72.92 60.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 10.0 108.261 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . -146.09 -40.73 0.05 OUTLIER Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.542 1.151 . . . . 10.0 111.056 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 63' ' ' GLY . . . -32.13 -38.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.067 -0.813 . . . . 10.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.8 OUTLIER -141.75 -61.56 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.317 -0.994 . . . . 10.0 108.317 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.488 ' CE1' ' O ' ' A' ' 11' ' ' GLY . 40.7 m-70 -51.4 149.38 4.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 10.0 109.593 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.8 mt -121.83 75.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 10.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 10.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 t 57.05 103.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 10.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.547 HG13 ' CE1' ' A' ' 6' ' ' TYR . 2.3 t -114.42 151.4 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 10.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -125.05 99.0 5.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 10.0 110.427 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.547 ' CE1' HG13 ' A' ' 4' ' ' VAL . 4.3 m-30 -86.0 127.75 34.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 10.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -113.44 97.22 6.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 10.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.72 156.46 17.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 10.0 109.341 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -49.15 -54.16 17.63 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.486 1.116 . . . . 10.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.67 -64.65 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 10.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.98 -135.75 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.105 . . . . 10.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -139.62 139.07 36.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 10.0 109.218 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.456 HG22 ' CB ' ' A' ' 65' ' ' CYS . 3.4 p -109.54 -17.17 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 10.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.624 ' O ' ' CD2' ' A' ' 15' ' ' PHE . 7.0 m 46.43 -174.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 10.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.624 ' CD2' ' O ' ' A' ' 14' ' ' THR . 26.4 m-85 -164.49 144.25 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 10.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.568 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 5.2 m-20 -129.36 117.34 20.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 10.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -122.34 -65.46 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 10.0 109.589 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 3.9 tttt -65.18 -39.56 93.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.552 1.158 . . . . 10.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.5 -40.29 70.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.568 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -68.29 -53.43 24.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 10.0 109.566 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.94 -39.43 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 10.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 2.2 mt-10 -53.3 -47.65 69.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 10.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -85.22 -52.81 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 10.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.53 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 6.7 mp -63.27 -118.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 10.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 158.68 36.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 10.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 67.41 -66.04 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.317 -0.994 . . . . 10.0 108.317 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 25' ' ' GLY . 3.0 p30 -39.97 -29.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 10.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.53 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -61.59 -43.95 97.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 10.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.577 ' N ' ' O ' ' A' ' 26' ' ' CYS . 72.2 m -98.21 -52.57 3.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 10.0 108.29 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.487 ' CE1' HD11 ' A' ' 37' ' ' ILE . 8.4 m-70 -97.41 -169.9 1.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 10.0 109.632 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 177.63 104.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 10.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.82 -62.65 0.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 m -162.93 114.7 1.08 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 10.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.82 25.87 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.573 1.828 . . . . 10.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -145.19 -48.85 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 10.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.95 149.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 10.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.487 HD11 ' CE1' ' A' ' 30' ' ' HIS . 49.4 mt -113.0 -13.74 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 10.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 48.99 98.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 10.0 109.295 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.1 mm -105.29 126.63 60.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' LYS . 14.2 t0 -178.4 158.96 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 10.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 4.8 ttpt -39.46 140.0 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 10.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER 90.58 -58.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 10.0 109.275 179.961 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -72.39 -67.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 10.0 110.03 179.965 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.66 -21.63 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 10.0 109.341 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -86.34 6.4 30.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 10.0 109.579 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 43' ' ' SER . 19.4 mttt -125.53 -164.48 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 10.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' ALA . 16.0 m-20 -39.26 -33.86 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 10.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -37.45 -83.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.324 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.4 t -95.91 -59.47 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 10.0 108.303 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 2.9 tptm -60.92 98.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 109.231 -179.916 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 52' ' ' CYS . 15.0 t -176.02 -51.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 110.364 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.434 ' N ' ' CG2' ' A' ' 51' ' ' THR . 1.8 t -76.56 176.26 8.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 108.298 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.418 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 13.5 m80 82.23 -49.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 10.0 109.589 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 60' ' ' THR . 0.0 OUTLIER -84.24 64.05 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 10.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.3 t -171.22 -46.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 10.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -101.98 -57.72 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 10.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -178.69 117.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 10.0 109.36 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 151.41 157.4 7.86 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 10.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.41 ' CB ' ' HA2' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -74.92 177.69 8.22 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.551 1.817 . . . . 10.0 111.077 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 54' ' ' LYS . 4.1 t -175.39 -36.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.485 1.115 . . . . 10.0 110.388 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 60' ' ' THR . 2.4 ptpt -36.91 -46.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 10.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -162.74 -51.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 108.299 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.57 42.2 3.13 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.534 1.146 . . . . 10.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.41 ' HA2' ' CB ' ' A' ' 59' ' ' PRO . . . -77.33 -34.62 40.15 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.902 -0.879 . . . . 10.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.456 ' CB ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -130.92 -51.36 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 -179.91 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -53.88 117.77 3.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 10.0 109.518 -179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' LYS . 12.7 mm -109.7 120.64 61.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 10.0 109.242 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' ILE . 1.5 ttmp? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 10.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 t -153.81 105.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 10.0 109.333 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.45 90.66 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 10.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -77.06 124.88 28.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 10.0 110.444 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -113.88 123.89 50.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 10.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -87.8 128.83 35.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -141.19 174.14 10.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 12.83 25.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 10.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.9 72.09 1.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.425 1.078 . . . . 10.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.17 -127.12 7.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 10.0 111.045 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.24 120.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 10.0 109.39 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p -95.49 85.18 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 10.0 109.323 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 14' ' ' THR . 14.9 t -76.26 72.3 3.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 10.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 14' ' ' THR . 1.9 t80 -47.24 176.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.374 1.046 . . . . 10.0 111.058 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.569 ' OD2' ' CE1' ' A' ' 20' ' ' HIS . 0.9 OUTLIER -144.21 124.75 14.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 10.0 109.232 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.27 -59.22 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 10.0 109.627 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -81.24 -40.7 23.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 10.0 109.256 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.446 ' CB ' ' HB3' ' A' ' 16' ' ' ASP . . . -57.0 -38.91 73.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 10.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.569 ' CE1' ' OD2' ' A' ' 16' ' ' ASP . 5.2 m170 -73.98 -65.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 109.534 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.483 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -34.39 -40.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 10.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.2 mm-40 -39.05 -45.77 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 10.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' HIS . 12.2 mmtt -97.64 -43.16 7.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.088 . . . . 10.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.483 HD23 ' CB ' ' A' ' 28' ' ' ALA . 3.1 mp -73.3 -109.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 10.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.97 41.1 0.06 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 10.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER 70.9 -55.79 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.323 -0.991 . . . . 10.0 108.323 179.98 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.5 68.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 10.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -141.02 -55.26 0.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 10.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.91 -13.22 13.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 10.0 108.28 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -103.71 -179.26 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 10.0 109.526 -179.945 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -179.2 104.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 10.0 110.363 -179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.44 88.87 0.1 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 10.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m 70.49 104.44 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.738 . . . . 10.0 110.421 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 136.13 20.18 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 10.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -151.65 157.92 42.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 10.0 109.276 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.443 ' CE ' ' O ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -43.48 137.43 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.36 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.443 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 41.1 mt -111.69 161.85 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 10.0 109.281 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.33 87.12 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 10.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.407 HD11 ' CB ' ' A' ' 44' ' ' ALA . 4.5 mm -118.31 117.58 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 10.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -143.24 -73.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 10.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.39 72.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 10.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.76 -45.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 10.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -101.48 -38.67 7.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 10.0 109.999 -179.963 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.407 ' CB ' HD11 ' A' ' 39' ' ' ILE . . . -56.35 -17.52 8.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 10.0 109.266 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -102.71 4.73 38.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 10.0 109.619 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.32 -154.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 10.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 48' ' ' ALA . 3.5 p-10 -47.14 -36.06 7.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 10.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -35.86 -47.06 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 10.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.555 ' O ' ' C ' ' A' ' 50' ' ' LYS . 57.5 m -121.4 -110.85 0.33 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 1.165 . . . . 10.0 108.255 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER 27.35 -124.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 10.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 50' ' ' LYS . 44.7 m 33.41 -99.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' HIS . 1.9 t -41.2 -70.14 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 10.0 108.316 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -38.15 -37.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 10.0 109.584 179.964 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' THR . 2.3 mtpt -85.2 51.74 2.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 10.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -149.67 -68.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 10.0 110.021 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -76.79 -68.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -89.56 175.24 7.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 10.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -128.69 76.07 0.41 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.456 1.097 . . . . 10.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.481 ' O ' ' C ' ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.08 3.83 5.31 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 10.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 59' ' ' PRO . 68.4 m -32.36 -66.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 10.0 110.451 179.914 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 139.98 58.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 10.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.407 ' C ' ' N ' ' A' ' 64' ' ' GLY . 77.2 m -44.47 -51.63 8.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 10.0 108.282 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -42.04 -27.59 0.41 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.455 1.097 . . . . 10.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 62' ' ' CYS . . . -52.68 -85.08 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.852 . . . . 10.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.7 m -68.18 -59.81 2.94 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.368 -0.975 . . . . 10.0 108.368 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -70.71 101.69 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 10.0 109.587 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.7 mm -72.71 76.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.406 1.066 . . . . 10.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 10.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 4' ' ' VAL . 2.4 t -143.47 163.14 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 10.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.509 ' CG1' ' CE2' ' A' ' 6' ' ' TYR . 9.9 t -133.93 104.17 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.579 1.174 . . . . 10.0 109.281 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.6 m -122.59 116.39 23.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 10.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.509 ' CE2' ' CG1' ' A' ' 4' ' ' VAL . 37.7 m-85 -113.53 133.12 55.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.03 118.81 18.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 10.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -104.59 -175.8 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 10.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -69.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.95 57.78 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 10.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 139.45 -155.65 24.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 10.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -177.66 114.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.774 . . . . 10.0 109.305 179.931 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.9 p -52.5 146.48 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 10.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 15' ' ' PHE . 33.5 m -119.48 26.79 9.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 10.0 110.426 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.413 ' O ' ' O ' ' A' ' 14' ' ' THR . 3.1 t80 -40.96 164.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 10.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -137.22 163.29 31.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 10.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.47 -49.44 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 10.0 109.611 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -41.06 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 10.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.36 70.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 10.0 109.325 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.423 ' O ' ' CD1' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -82.95 -61.79 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 10.0 109.675 179.955 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.12 -27.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 10.0 109.235 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 20' ' ' HIS . 1.5 mm-40 -42.32 -48.7 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 10.0 110.235 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -103.06 -28.86 11.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 10.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.423 ' CD1' ' O ' ' A' ' 20' ' ' HIS . 4.8 mp -88.43 -113.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 10.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.47 175.91 28.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 10.0 110.974 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.3 4.03 28.89 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.251 -1.018 . . . . 10.0 108.251 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.96 11.46 25.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 10.0 109.245 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.99 -57.75 2.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 10.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.523 ' CB ' ' CD1' ' A' ' 37' ' ' ILE . 3.6 m -90.99 -31.42 16.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 10.0 108.343 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -101.78 -164.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 10.0 109.591 179.982 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 179.76 85.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 10.0 110.259 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.39 91.74 0.68 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.591 1.182 . . . . 10.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.1 m 63.49 104.99 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 10.0 110.429 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.575 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 18.1 Cg_endo -75.01 -166.68 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 10.0 110.957 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 175.7 -52.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.506 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER 178.96 160.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 10.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.523 ' CD1' ' CB ' ' A' ' 29' ' ' CYS . 2.6 mt -127.7 1.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 10.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 43.2 93.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 10.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.44 HG21 ' CB ' ' A' ' 44' ' ' ALA . 8.2 mm -104.7 128.51 58.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 10.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 42' ' ' LYS . 4.0 m-20 -152.78 163.13 40.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 10.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 58.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -151.09 -49.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 10.0 109.311 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -107.97 -36.35 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 10.0 109.96 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.44 ' CB ' HG21 ' A' ' 39' ' ' ILE . . . -57.03 -18.3 13.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 10.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -101.19 3.57 41.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 10.0 109.583 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 1.3 tttp -111.16 -161.55 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 10.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.483 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 45.3 t0 -42.82 -27.91 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 10.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -41.72 -58.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 10.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 50' ' ' LYS . 81.1 m -118.52 -52.67 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 10.0 108.275 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -33.25 -78.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 10.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.483 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 2.1 m -32.76 -63.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.477 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -39.72 -77.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 10.0 108.265 179.957 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -43.04 -40.99 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 10.0 109.581 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.78 74.2 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.3 t -176.01 -62.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 10.0 110.025 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -106.35 -58.6 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 10.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -41.37 122.08 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 10.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.4 -64.94 3.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.574 1.171 . . . . 10.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.43 ' HB2' ' CA ' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -74.98 96.25 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.792 . . . . 10.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.1 p -97.75 31.94 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 10.0 110.357 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -155.59 -162.77 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 10.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 12.8 m -46.94 125.78 7.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 10.0 108.306 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.85 -21.1 37.11 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.553 1.158 . . . . 10.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 59' ' ' PRO . . . -75.76 -27.5 62.76 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.011 -0.835 . . . . 10.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.0 m -126.56 -74.01 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -59.32 148.08 33.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 10.0 109.576 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.1 mt -125.16 88.31 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.601 1.188 . . . . 10.0 109.228 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 10.0 109.26 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 80.5 t -129.99 110.76 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 10.0 109.363 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' PHE . 71.0 t -98.71 125.55 52.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 10.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.1 m -131.96 122.88 26.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 10.0 110.399 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.461 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 26.6 m-85 -113.15 117.18 31.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 10.0 110.999 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.39 106.9 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 10.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -98.04 -177.94 3.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 10.0 109.228 -179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -64.12 -68.76 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 10.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -137.22 77.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 10.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.99 -38.41 0.04 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.53 1.144 . . . . 10.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 41.39 88.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 10.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 6' ' ' TYR . 7.5 p -84.45 121.83 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 10.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.5 m -104.63 63.3 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 10.0 110.377 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' VAL . 0.7 OUTLIER -53.02 171.32 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 10.0 111.033 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.405 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 7.1 m-20 -146.18 140.33 26.54 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 10.0 109.305 -179.925 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -104.28 -53.92 2.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 10.0 109.582 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -81.76 -43.54 18.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 10.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.52 -36.46 71.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 10.0 109.304 -179.917 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.405 ' ND1' ' HB2' ' A' ' 16' ' ' ASP . 6.2 m170 -78.4 -64.54 1.15 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 10.0 109.582 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.27 -46.9 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 10.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.11 -28.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 10.0 110.346 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 69.6 mmtt -112.89 -20.05 11.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 10.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.679 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.08 -124.56 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 10.0 109.269 179.952 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 169.3 36.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 10.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 65.62 -68.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.292 -1.003 . . . . 10.0 108.292 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 25' ' ' GLY . 81.9 m-20 -35.21 -33.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 10.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -40.99 -41.39 1.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 10.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 m -110.71 -58.62 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 10.0 108.272 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.667 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -85.14 -159.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 10.0 109.6 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.14 122.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 10.0 110.287 -179.912 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.6 -58.5 0.93 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 10.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 m -141.87 106.84 5.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 10.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.667 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -75.01 -91.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.524 1.802 . . . . 10.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 34' ' ' PRO . . . 88.37 -55.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 10.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.18 175.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 10.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mt -138.21 164.84 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 10.0 109.25 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.76 80.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.416 HG23 ' CB ' ' A' ' 44' ' ' ALA . 12.3 mm -107.56 123.5 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 10.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' LYS . 40.3 p30 -161.13 171.44 18.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 10.0 109.386 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 68.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 10.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -173.26 -46.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 10.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 69.6 m -106.74 -34.0 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 10.0 109.952 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.416 ' CB ' HG23 ' A' ' 39' ' ' ILE . . . -58.64 -17.39 21.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 10.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -102.11 2.28 37.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.594 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.4 -155.13 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 10.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -44.43 -29.54 0.71 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.467 1.104 . . . . 10.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -41.34 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 10.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 88.0 m -92.7 -74.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 10.0 108.345 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.99 100.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 174.08 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 10.0 110.375 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -82.24 -42.79 18.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 10.0 108.35 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.401 ' C ' ' N ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -45.73 -27.53 0.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 10.0 109.574 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -46.19 -25.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 53' ' ' HIS . 16.4 m -97.34 -51.36 4.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 10.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' A' ' 58' ' ' GLY . 4.8 m120 -97.13 124.89 41.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 10.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 51.0 m-80 64.36 -72.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 10.0 109.264 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' ASN . . . 60.35 99.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.469 1.106 . . . . 10.0 111.087 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.431 ' O ' ' OG1' ' A' ' 60' ' ' THR . 18.4 Cg_endo -74.95 163.71 34.87 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.531 1.806 . . . . 10.0 111.059 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 59' ' ' PRO . 1.1 m -175.04 -37.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 10.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.38 20.63 3.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 10.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.2 t 77.99 -58.87 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 10.0 108.337 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.88 48.77 3.95 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 10.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.21 -43.17 3.83 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.6 p -115.88 -41.31 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.274 -1.01 . . . . 10.0 108.274 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -64.55 169.22 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 10.0 109.617 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 91.5 mt -118.41 92.14 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 10.0 109.366 179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 10.0 109.325 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.719 ' HB3' ' CB ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 . . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 2' ' ' ASP . 5.8 m -37.05 151.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.495 HG11 ' CZ ' ' A' ' 6' ' ' TYR . 11.9 t -121.99 69.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 10.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' VAL . 34.3 m -36.88 121.23 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 10.0 110.398 -179.932 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.495 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 4.0 m-85 -130.11 95.11 3.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 111.06 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -69.78 156.41 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 10.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 5.9 p30 -159.32 170.83 20.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 10.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -60.5 -49.56 77.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.426 1.079 . . . . 10.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 10.0 109.351 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -136.72 -101.26 0.59 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.439 1.087 . . . . 10.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -160.68 124.33 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 10.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.2 43.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 10.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.3 m -42.24 99.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 10.0 110.42 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -56.6 -166.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 10.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.584 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 7.6 m-20 -163.55 94.29 0.78 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 10.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.719 ' CB ' ' HB3' ' A' ' 2' ' ' ASP . 0.4 OUTLIER -88.98 -38.24 14.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.583 1.177 . . . . 10.0 109.631 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.648 ' N ' ' HB3' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -61.91 -79.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 10.0 109.274 -179.942 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -37.64 -48.21 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 10.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.584 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 3.2 m80 -63.31 -67.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 10.0 109.577 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 17' ' ' HIS . . . -40.59 -34.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 10.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.3 mm-40 -61.0 -46.72 89.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 10.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 20' ' ' HIS . 2.3 mmtp -88.72 -52.66 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 10.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 20' ' ' HIS . 3.0 mp -67.69 -112.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 10.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.459 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 148.44 42.48 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.53 1.143 . . . . 10.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.717 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 70.51 -53.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.378 -0.971 . . . . 10.0 108.378 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' GLY . 1.1 m-20 -57.7 66.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.717 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -150.64 -45.3 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 10.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.51 ' HB3' ' CD1' ' A' ' 37' ' ' ILE . 75.2 m -104.91 -24.91 12.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 10.0 108.321 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.601 ' CD2' ' HB3' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -99.29 -171.84 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 10.0 109.66 179.917 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.7 57.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 10.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.0 99.06 2.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 10.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.7 m 68.93 104.5 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.44 0.729 . . . . 10.0 110.399 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.601 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 18.2 Cg_endo -75.0 -179.07 4.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.454 1.765 . . . . 10.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 173.52 -49.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.481 1.113 . . . . 10.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER 178.44 172.67 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 10.0 109.299 -179.921 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.51 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 1.7 mt -148.48 151.07 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 10.0 109.306 179.942 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.45 96.16 8.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 10.0 109.329 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.7 mm -112.74 104.57 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 10.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.409 ' N ' ' HB1' ' A' ' 44' ' ' ALA . 9.5 p30 -159.09 -177.48 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 10.0 109.357 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -68.88 67.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 10.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 40' ' ' ASP . 76.6 tttt -168.64 -56.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 10.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -102.22 -33.44 9.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 10.0 109.996 179.983 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.446 ' HA ' ' HB3' ' A' ' 48' ' ' ALA . . . -64.68 -10.34 26.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 10.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.46 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 6.2 m170 -119.91 7.56 10.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 10.0 109.535 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.521 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -143.3 -124.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 10.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.564 ' O ' ' C ' ' A' ' 48' ' ' ALA . 16.9 m-20 -31.48 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 10.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.564 ' C ' ' O ' ' A' ' 47' ' ' ASP . . . -26.25 -74.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 10.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 51' ' ' THR . 60.6 m -96.99 -133.04 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 10.0 108.302 179.931 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER 34.74 36.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 10.0 109.251 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 49' ' ' CYS . 1.5 p -132.83 -106.12 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.579 1.175 . . . . 10.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.538 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 2.4 t -64.36 102.44 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 10.0 108.314 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER 168.45 -44.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 10.0 109.591 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.431 ' CG ' ' CG2' ' A' ' 60' ' ' THR . 1.0 OUTLIER -81.31 66.31 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 10.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.26 -54.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.107 . . . . 10.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -123.71 -71.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 10.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -124.96 101.65 7.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 10.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.5 89.22 0.11 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.542 1.151 . . . . 10.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 53.54 3.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 10.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.431 ' CG2' ' CG ' ' A' ' 54' ' ' LYS . 5.7 t -90.05 45.17 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 10.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -119.13 37.41 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 10.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.2 t 74.39 147.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 10.0 108.332 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' GLY . . . 75.83 -52.3 2.81 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 10.0 110.987 -179.942 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLY . . . -34.64 -67.72 0.25 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.4 m -68.83 -59.69 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.283 -1.006 . . . . 10.0 108.283 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 68' ' ' LYS . 83.9 m-70 -73.94 96.09 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 10.0 109.554 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.0 mm -63.93 81.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 10.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 66' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 10.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -146.25 -46.69 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 10.0 109.353 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 76.6 t -133.45 70.02 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 10.0 109.257 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 5' ' ' THR . 73.8 t -53.55 144.03 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 10.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.418 ' N ' HG13 ' A' ' 4' ' ' VAL . 32.7 m -136.5 143.71 43.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 110.419 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -136.67 113.91 10.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 10.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.18 115.03 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -99.48 175.33 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 10.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.15 -28.66 25.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 10.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' HD2' ' CMA' ' A' ' 158' ' ' HEC . 2.3 ptpt -121.92 65.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.02 -157.87 14.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.13 . . . . 10.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -152.52 156.09 38.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 10.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.483 ' CG2' HMB3 ' A' ' 128' ' ' HEC . 8.0 p -128.33 66.82 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 10.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -58.29 98.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 10.0 110.396 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.551 ' CE1' HMD1 ' A' ' 158' ' ' HEC . 68.4 m-85 -73.96 178.49 4.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.415 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 4.8 m-20 -146.94 133.41 19.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 10.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.535 ' CE1' ' NB ' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -109.92 -59.48 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 10.0 109.626 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -79.69 -50.77 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 10.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.51 -27.94 58.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 10.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.574 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -88.92 -51.29 5.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 10.0 109.612 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -40.08 -29.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 10.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 20' ' ' HIS . 2.5 mt-10 -51.98 -56.32 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 10.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.06 -47.68 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.592 HD22 ' C3C' ' A' ' 128' ' ' HEC . 6.6 mp -60.72 -101.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 10.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 128.23 35.14 0.51 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 10.0 111.064 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 64.36 -75.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.328 -0.989 . . . . 10.0 108.328 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 25' ' ' GLY . 16.7 t0 -39.37 -31.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 10.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -48.21 -37.63 16.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.415 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 1.9 m -111.0 -58.29 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 10.0 108.309 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 27' ' ' ASP . 38.6 m-70 -76.65 173.81 11.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 10.0 109.57 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.01 91.58 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.95 103.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 10.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.0 m 67.4 104.72 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 10.0 110.369 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -172.65 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 10.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 173.12 -55.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -177.63 172.08 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 10.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.515 HD12 ' C1D' ' A' ' 98' ' ' HEC . 46.4 mt -132.97 8.04 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 10.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 37' ' ' ILE . . . 39.73 87.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 10.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.475 ' HB ' ' CGD' ' A' ' 98' ' ' HEC . 7.3 mm -122.18 143.16 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 10.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -172.17 -66.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.5 80.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 10.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 172.26 -49.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 10.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -92.56 -43.02 9.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 10.0 109.984 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.53 -18.56 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 10.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -100.24 4.41 44.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 10.0 109.622 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -113.12 -162.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 10.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 48' ' ' ALA . 44.8 m-20 -40.88 -29.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 10.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -39.31 -62.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 10.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 94.4 m -102.44 -64.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 10.0 108.323 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 51' ' ' THR . 0.5 OUTLIER -56.38 95.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 10.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER 171.51 -58.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 10.0 110.363 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 14.0 t -102.74 62.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 10.0 108.343 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.507 ' CE1' ' NB ' ' A' ' 128' ' ' HEC . 15.2 m170 -148.95 -46.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 109.557 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' HG3' ' CG2' ' A' ' 60' ' ' THR . 43.7 mttt -61.85 80.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 10.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 53' ' ' HIS . 8.7 p 169.69 -50.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 10.0 109.964 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -120.25 173.47 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 7.9 t30 78.08 -66.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 10.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.94 -79.97 0.36 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 10.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.47 1.773 . . . . 10.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.473 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 47.5 m -112.52 -23.88 10.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 110.376 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -92.91 -158.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 10.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.416 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 0.1 OUTLIER -44.74 135.8 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 108.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.44 -28.58 14.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 10.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.6 -66.04 2.31 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -87.35 -71.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.328 -0.99 . . . . 10.0 108.328 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -54.58 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 109.607 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' CYS . 11.2 tt -44.86 108.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 10.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 10.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.415 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 0.592 ' C3C' HD22 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.416 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 5.6 m-20 158.12 -28.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 10.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -174.61 129.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 t -111.19 150.17 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 10.0 109.351 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -126.94 117.12 21.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 10.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -111.51 89.79 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 10.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -88.18 124.21 33.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 10.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.408 ' ND2' ' HA ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -130.93 -176.57 4.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 10.0 109.292 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -70.13 -66.98 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.598 1.186 . . . . 10.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -40.24 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 10.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.48 128.04 1.89 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.089 . . . . 10.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.408 ' HA ' ' ND2' ' A' ' 8' ' ' ASN . 13.5 p-10 -58.57 138.04 57.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.764 . . . . 10.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.493 HG12 ' C2D' ' A' ' 158' ' ' HEC . 4.4 p -119.61 80.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 10.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 15' ' ' PHE . 18.2 m -55.4 146.29 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 110.341 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.568 ' CE1' HBB1 ' A' ' 128' ' ' HEC . 5.1 m-30 -114.13 -172.49 2.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.393 1.058 . . . . 10.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.423 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 44.7 m-20 -158.64 127.04 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 10.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.429 ' CD2' ' NB ' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -103.39 -41.31 6.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 10.0 109.581 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -102.77 -26.59 13.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 10.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.91 -25.93 59.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 10.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.423 ' ND1' ' HB2' ' A' ' 16' ' ' ASP . 0.6 OUTLIER -96.96 -56.84 2.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 10.0 109.607 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -39.78 -47.12 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 10.0 109.326 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' ALA . 9.2 pt-20 -37.03 -33.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 10.0 110.232 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' ALA . 12.9 mmtt -109.52 -60.39 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 10.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.558 HD22 ' C2C' ' A' ' 128' ' ' HEC . 8.7 mp -41.54 -76.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 10.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.3 14.56 6.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 10.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 74.19 -68.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.358 -0.979 . . . . 10.0 108.358 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.14 -26.58 0.49 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 10.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.451 ' HB3' ' CBC' ' A' ' 128' ' ' HEC . . . -54.75 -38.65 67.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 10.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.391 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 12.8 m -105.96 -57.13 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 10.0 108.335 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.568 ' CE1' ' NA ' ' A' ' 98' ' ' HEC . 54.1 m-70 -79.9 178.79 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 10.0 109.596 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -156.08 96.93 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 10.0 110.32 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 58.9 97.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.438 1.086 . . . . 10.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.4 m 67.63 104.42 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.425 0.721 . . . . 10.0 110.439 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.415 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -74.93 -175.32 2.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 10.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -178.35 -50.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 10.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' O ' ' CG1' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -176.64 -172.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 10.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.518 HD11 ' C2D' ' A' ' 98' ' ' HEC . 23.2 mt -154.0 157.64 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 10.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.36 97.55 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 10.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.8 mm -134.88 112.82 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -166.21 -64.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 10.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' LYS . 17.0 tttt -143.78 -117.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 10.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -36.65 -46.13 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 10.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 5.1 m -50.4 -63.39 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 10.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.15 -16.83 14.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.092 . . . . 10.0 109.27 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.508 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 14.7 m170 -100.4 1.2 41.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 10.0 109.626 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -107.91 -158.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 10.0 109.289 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.53 -26.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 10.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -41.39 -58.82 1.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 10.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -107.47 -73.08 0.7 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 10.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -47.24 98.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.557 1.161 . . . . 10.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.44 -72.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 10.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 1.399 ' SG ' ' CAC' ' A' ' 128' ' ' HEC . 16.6 t -93.4 64.48 3.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 10.0 108.313 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.441 ' CD2' ' NC ' ' A' ' 128' ' ' HEC . 0.3 OUTLIER -159.36 -48.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 10.0 109.505 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -71.18 73.32 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 10.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 t -171.55 -62.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 10.0 109.971 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -97.6 -60.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -40.81 -84.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 10.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.79 -64.28 0.6 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.539 1.149 . . . . 10.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 86.96 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 10.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.5 t -105.27 4.51 31.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 10.0 110.38 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 62' ' ' CYS . 8.6 pttt -110.43 -162.97 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 10.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.427 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 0.5 OUTLIER -52.79 154.51 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 10.0 108.315 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLY . . . 84.58 -43.54 3.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 10.0 111.004 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' GLY . . . -37.01 -85.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.029 -0.829 . . . . 10.0 111.029 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.417 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 5.6 p -81.75 -54.68 5.18 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.285 -1.005 . . . . 10.0 108.285 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -60.69 128.68 37.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 10.0 109.659 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.9 mt -132.34 103.66 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 10.0 109.336 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 10.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.391 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.399 ' CAC' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.427 ' CAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 17' ' ' HIS . 33.0 m-20 -59.37 -67.3 0.39 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.141 . . . . 10.0 109.354 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.9 p -85.8 144.13 10.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 10.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.2 t -125.86 39.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 m -42.21 131.6 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 10.0 110.371 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.554 ' CE1' HBD2 ' A' ' 158' ' ' HEC . 2.2 m-85 -85.78 -173.97 4.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 10.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.26 42.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 10.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -59.91 177.95 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 10.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -99.45 7.73 45.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 10.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.569 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 0.0 OUTLIER -137.82 75.49 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 10.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.92 100.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 10.0 111.052 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -68.77 142.73 54.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.453 0.737 . . . . 10.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 m -91.47 154.81 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 10.0 109.217 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.0 m -102.75 71.39 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 10.0 110.476 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.702 ' CZ ' ' CBB' ' A' ' 128' ' ' HEC . 0.2 OUTLIER -44.93 164.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 10.0 110.992 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.534 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 3.7 m-20 -150.6 116.7 5.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 10.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.491 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.2 t-80 -105.08 -50.96 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 10.0 109.566 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 2.3 tttt -89.53 -34.62 16.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 10.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.85 -36.93 84.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 10.0 109.232 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.534 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -79.23 -59.71 2.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 10.0 109.571 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.444 ' CB ' HBB3 ' A' ' 98' ' ' HEC . . . -39.89 -30.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 10.0 109.236 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.2 mm-40 -47.34 -52.63 15.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 10.0 110.291 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -90.6 -41.59 11.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 10.0 109.276 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.521 HD21 ' CBC' ' A' ' 128' ' ' HEC . 5.5 mp -71.74 -108.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 10.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 138.49 40.37 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.448 1.092 . . . . 10.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 70.08 -59.22 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.281 -1.007 . . . . 10.0 108.281 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' GLY . 15.9 m-20 -66.4 62.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 10.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -142.17 -47.18 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 10.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.371 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.1 OUTLIER -116.25 -7.08 11.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 108.334 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.594 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 93.1 m-70 -115.45 -167.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 10.0 109.548 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.34 116.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 10.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.48 -53.07 3.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.563 1.165 . . . . 10.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.4 m -145.96 105.26 4.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 10.0 110.425 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.63 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.96 52.02 2.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 10.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.91 -174.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.66 117.29 16.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 10.0 109.276 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.533 HD11 ' CE1' ' A' ' 30' ' ' HIS . 52.2 mt -80.32 158.35 4.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 10.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.7 89.65 6.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 10.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.469 ' CG2' HAD1 ' A' ' 158' ' ' HEC . 20.2 mm -112.34 137.35 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 10.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' N ' HG21 ' A' ' 39' ' ' ILE . 0.5 OUTLIER 178.49 -50.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 10.0 109.324 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.462 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 1.6 tttt 178.29 58.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 10.0 109.27 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' LYS . 9.9 ttmt -164.22 -75.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 10.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -60.96 -49.16 78.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 10.0 110.072 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.48 -13.73 33.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.411 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 7.6 m170 -114.72 3.53 14.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 10.0 109.593 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 42' ' ' LYS . 20.3 tttt -107.89 -106.22 0.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 109.325 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 1.6 m-20 -109.47 -17.27 13.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 10.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -47.31 -55.9 7.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 10.0 109.316 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 51' ' ' THR . 0.8 OUTLIER -97.29 -67.72 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 10.0 108.269 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -54.89 90.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 10.0 109.226 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 49' ' ' CYS . 1.0 OUTLIER -175.77 -52.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 10.0 110.401 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 1.398 ' SG ' ' CAC' ' A' ' 128' ' ' HEC . 0.5 OUTLIER -80.55 -57.11 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 10.0 108.328 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -48.41 -62.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 10.0 109.604 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -73.02 59.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 10.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -149.69 -47.26 0.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.438 1.086 . . . . 10.0 110.048 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -115.33 -68.73 0.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 10.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -176.98 130.19 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.071 . . . . 10.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.68 -168.04 37.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.566 1.166 . . . . 10.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.05 9.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 10.0 111.039 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.1 t -173.33 46.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 10.0 110.395 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 62' ' ' CYS . 12.4 ptmt -155.01 31.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 10.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.398 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 3.8 t 81.57 -70.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 10.0 108.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.4 58.42 0.64 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.498 1.124 . . . . 10.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.5 -85.57 0.1 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.4 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 8.9 m -62.14 -51.39 68.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.339 -0.985 . . . . 10.0 108.339 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.674 ' CE1' ' C1B' ' A' ' 158' ' ' HEC . 4.2 m-70 -65.6 141.51 58.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 10.0 109.632 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mm -128.14 110.55 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 10.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 10.0 109.343 179.91 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.371 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.398 ' CAC' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.4 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.94 -64.37 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.59 1.181 . . . . 10.0 109.239 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.8 t -137.77 117.58 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.251 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' PHE . 3.2 t -89.85 158.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 10.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.407 ' N ' ' CG1' ' A' ' 4' ' ' VAL . 52.9 m -130.84 123.65 29.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 10.0 110.483 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.661 ' CD1' ' CGD' ' A' ' 158' ' ' HEC . 0.4 OUTLIER -120.49 93.89 4.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.402 1.064 . . . . 10.0 111.013 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -81.03 134.23 35.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 10.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -134.22 170.4 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 10.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -51.82 -65.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 10.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -47.47 -68.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 10.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.31 -142.65 3.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.471 1.107 . . . . 10.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -148.13 156.73 42.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.796 . . . . 10.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.524 HG21 ' CD1' ' A' ' 15' ' ' PHE . 4.9 m -129.84 104.19 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.547 ' O ' ' CG2' ' A' ' 14' ' ' THR . 13.1 t -69.13 83.59 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 10.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.571 ' CZ ' HBB1 ' A' ' 128' ' ' HEC . 2.5 m-30 -47.93 167.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 10.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.544 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 7.5 m-20 -137.24 122.26 19.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 10.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.55 -60.86 1.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 10.0 109.598 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -85.22 -31.19 23.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.168 . . . . 10.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.96 -28.92 67.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 10.0 109.321 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.544 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -92.11 -50.3 5.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 10.0 109.548 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -38.94 -30.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 10.0 109.263 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' HIS . 1.9 mt-10 -54.62 -50.3 68.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 10.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 20' ' ' HIS . 10.9 mttt -92.26 -56.42 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 10.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.574 HD21 ' C3C' ' A' ' 128' ' ' HEC . 7.3 mp -47.33 -85.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 10.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 118.1 24.28 3.32 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.47 1.106 . . . . 10.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER 67.88 -69.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.319 -0.993 . . . . 10.0 108.319 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' GLY . 69.2 m-20 -39.85 -30.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 10.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 26' ' ' CYS . . . -51.48 -43.63 62.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 10.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.379 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 5.5 m -105.01 -51.38 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 10.0 108.282 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.556 ' CE1' HD12 ' A' ' 37' ' ' ILE . 4.8 m-70 -97.29 -153.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 10.0 109.658 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -139.52 -156.0 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 10.0 110.359 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.51 -20.67 7.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 10.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.1 m -151.75 107.87 2.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 10.0 110.397 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.533 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.3 Cg_endo -74.99 -164.96 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.516 1.798 . . . . 10.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 176.49 -49.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 10.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.08 -178.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 10.0 109.265 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.556 HD12 ' CE1' ' A' ' 30' ' ' HIS . 19.3 mt -150.51 148.52 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 10.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.411 ' N ' HG21 ' A' ' 37' ' ' ILE . . . -93.52 98.85 11.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 10.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.4 mm -124.1 144.17 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 10.0 109.293 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -177.64 -67.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 10.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.52 ' HG3' ' C2A' ' A' ' 158' ' ' HEC . 0.0 OUTLIER -178.37 67.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 10.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -169.48 -65.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 10.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -76.56 -47.39 22.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 10.0 110.026 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.21 -18.63 6.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 10.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -101.2 6.77 43.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 10.0 109.641 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.431 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -118.08 -162.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 10.0 109.267 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.465 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 2.7 m-20 -43.72 -27.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -40.23 -54.36 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 10.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.503 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 58.4 m -120.9 -56.2 1.95 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.117 . . . . 10.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -31.8 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 10.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.465 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 2.6 m -33.56 -81.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 110.363 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 1.44 ' SG ' ' CAC' ' A' ' 128' ' ' HEC . 6.9 t -62.49 89.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 10.0 108.262 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.466 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 1.0 OUTLIER 165.04 -60.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 10.0 109.593 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -73.69 67.06 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 10.0 109.249 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -148.65 -45.97 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 10.0 109.995 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -106.84 -68.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 10.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.43 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 1.2 t30 -174.53 158.53 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.615 1.197 . . . . 10.0 109.356 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' A' ' 57' ' ' ASN . . . 136.33 -152.21 21.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 10.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.502 ' CG ' ' SG ' ' A' ' 65' ' ' CYS . 18.4 Cg_endo -74.96 135.15 18.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 10.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 59' ' ' PRO . 1.3 m -168.79 -39.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 10.0 110.446 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 63' ' ' GLY . 4.9 ptmt -85.86 44.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 10.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.384 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 10.6 t 65.37 -75.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 10.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -61.59 78.74 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.505 1.128 . . . . 10.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -152.4 -67.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.502 ' SG ' ' CG ' ' A' ' 59' ' ' PRO . 89.5 m -72.2 -55.68 6.83 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.285 -1.006 . . . . 10.0 108.285 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.45 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 15.6 m-70 -74.13 89.91 2.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 10.0 109.607 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.443 ' O ' ' CG2' ' A' ' 67' ' ' ILE . 11.0 tt -44.16 108.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 10.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.379 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.503 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.384 ' CAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.467 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -77.08 -49.85 14.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 10.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.4 t -133.02 126.27 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.5 m -116.45 147.57 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 10.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 m -134.75 98.14 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 10.0 110.369 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.464 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 95.4 m-85 -69.76 96.23 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 10.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.428 ' HA ' ' CB ' ' A' ' 12' ' ' ASN . 2.6 mt-10 -70.2 121.48 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 10.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 10' ' ' LYS . 26.6 p30 -129.97 -172.38 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 10.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -41.75 30.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 10.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' C ' ' OD1' ' A' ' 8' ' ' ASN . 1.5 mmmt -85.98 48.75 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.318 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.401 ' C ' ' OD1' ' A' ' 8' ' ' ASN . . . 90.92 -126.19 8.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.135 . . . . 10.0 111.056 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.428 ' CB ' ' HA ' ' A' ' 7' ' ' GLU . 12.0 p30 178.27 141.37 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 10.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 6' ' ' TYR . 4.1 p -88.34 122.66 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 10.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -89.98 74.81 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 10.0 110.455 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.625 ' CZ ' ' CBB' ' A' ' 128' ' ' HEC . 0.9 OUTLIER -56.35 171.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.551 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 22.1 m-20 -148.41 110.16 4.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 10.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -95.17 -49.5 5.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 10.0 109.546 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -96.15 -14.44 22.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 10.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.482 ' CB ' ' HB3' ' A' ' 16' ' ' ASP . . . -80.6 -25.54 38.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 10.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.62 ' CE1' ' C4D' ' A' ' 128' ' ' HEC . 0.9 OUTLIER -102.17 -56.0 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 10.0 109.587 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' CB ' HBB3 ' A' ' 98' ' ' HEC . . . -40.67 -44.22 2.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 10.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.49 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 10.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.1 mmmt -117.65 -52.83 2.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 10.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.495 ' CD1' ' HAC' ' A' ' 128' ' ' HEC . 2.0 mm? -45.41 -86.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 10.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' CYS . . . 128.36 4.52 5.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 10.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.9 m 85.8 -67.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 30' ' ' HIS . 24.8 m-20 -41.35 -27.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 109.367 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.488 ' CB ' HD11 ' A' ' 24' ' ' LEU . . . -50.6 -47.78 58.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 10.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.38 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 1.6 m -102.95 -50.7 3.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.551 1.157 . . . . 10.0 108.307 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' A' ' 27' ' ' ASP . 31.7 m-70 -85.16 -168.42 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 10.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 172.77 98.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 10.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.76 81.76 0.57 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.444 1.09 . . . . 10.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 m 74.46 105.11 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 10.0 110.351 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.524 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.3 Cg_endo -74.99 167.5 26.92 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.395 1.734 . . . . 10.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -173.59 179.09 2.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 10.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -75.85 108.71 8.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 10.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.8 mt -77.28 164.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 10.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.42 98.44 8.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.586 1.179 . . . . 10.0 109.334 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.429 ' CG2' HAD1 ' A' ' 158' ' ' HEC . 4.0 mm -120.27 135.78 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 10.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER 165.57 173.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 10.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -37.78 135.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 10.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER 89.82 -73.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 10.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 2.7 m -53.56 -62.13 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 10.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.47 -17.17 11.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.571 1.17 . . . . 10.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.556 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 27.0 m170 -100.55 0.84 40.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 10.0 109.614 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -106.98 -154.84 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 10.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -53.55 -23.35 10.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -41.13 -56.23 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 109.248 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 m -109.29 -60.19 1.8 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 10.0 108.233 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 51' ' ' THR . 6.8 mtpt -55.26 98.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 109.368 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER 168.75 -72.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 10.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.2 t -72.88 -8.47 55.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 10.0 108.264 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.402 ' ND1' ' HA2' ' A' ' 58' ' ' GLY . 1.4 m170 -98.42 27.56 4.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 10.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -107.1 -50.69 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 10.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 t -83.39 51.51 2.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 10.0 110.042 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 175.74 -163.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 10.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 58' ' ' GLY . 73.0 m-20 -61.46 -69.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 10.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . 37.59 91.59 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.428 1.08 . . . . 10.0 111.024 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 59.79 5.3 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.449 1.762 . . . . 10.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -85.9 44.54 1.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 10.0 110.405 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -114.71 28.61 8.61 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.579 1.174 . . . . 10.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.465 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 0.5 OUTLIER 88.04 -74.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 10.0 108.269 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.05 66.5 0.68 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.471 1.107 . . . . 10.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.0 -49.73 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.396 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 0.0 OUTLIER -98.81 -44.11 6.5 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.346 -0.983 . . . . 10.0 108.346 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.613 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 49.4 m-70 -88.06 104.79 16.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.395 1.06 . . . . 10.0 109.543 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 21.1 mt -102.72 96.92 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 10.0 109.348 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 10.0 109.253 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.38 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 0.625 ' CBB' ' CZ ' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.465 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.417 ' C ' ' CG ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.417 ' CG ' ' C ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -169.94 81.34 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 10.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 4' ' ' VAL . 59.7 t 63.92 161.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 10.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.412 ' N ' HG13 ' A' ' 3' ' ' VAL . 98.1 t -144.01 58.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 10.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 t -40.47 160.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 10.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.504 ' OH ' ' CGD' ' A' ' 98' ' ' HEC . 0.8 OUTLIER -143.59 111.09 5.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 10.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.28 127.68 32.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 10.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -141.23 -179.36 6.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 10.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -90.7 -37.88 13.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 10.0 109.353 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -101.22 51.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 10.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.9 141.93 1.07 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 10.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 12.4 p30 -73.92 149.0 41.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.805 . . . . 10.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' THR . 3.6 p -91.67 76.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' VAL . 1.9 m -38.03 111.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 10.0 110.378 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.6 ' CE2' ' CBB' ' A' ' 128' ' ' HEC . 1.3 m-85 -84.5 -170.72 3.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 10.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.594 ' CB ' ' CG ' ' A' ' 20' ' ' HIS . 23.0 m-20 -153.37 110.29 3.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 10.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.56 ' CD2' ' NC ' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -109.17 -57.18 2.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 10.0 109.6 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.65 -47.56 10.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 10.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.488 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -59.28 -26.0 64.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 10.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.594 ' CG ' ' CB ' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -93.58 -50.37 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 10.0 109.623 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 17' ' ' HIS . . . -45.52 -42.29 10.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 10.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -50.74 -23.98 3.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 10.0 110.287 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -116.34 -65.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 10.0 109.344 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.573 HD21 ' C3C' ' A' ' 128' ' ' HEC . 8.8 mp -38.64 -76.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 10.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.418 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 120.06 8.43 8.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.403 1.065 . . . . 10.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.425 ' C ' ' N ' ' A' ' 28' ' ' ALA . 1.1 m 76.13 -62.58 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' HIS . 8.8 p-10 -43.44 -27.62 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 10.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 26' ' ' CYS . . . -53.71 -40.73 66.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.52 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 4.0 m -105.05 -56.55 2.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 10.0 108.35 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.493 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 35.9 m-70 -85.52 -175.92 5.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 10.0 109.606 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 178.27 100.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 10.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.71 75.08 1.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 10.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.4 m 67.2 105.44 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.747 . . . . 10.0 110.405 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.493 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.5 Cg_endo -74.97 149.21 36.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 10.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' O ' HAA2 ' A' ' 98' ' ' HEC . . . -141.26 -45.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 10.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -177.27 -176.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 10.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.52 HD13 ' C2D' ' A' ' 98' ' ' HEC . 4.5 mt -142.95 157.71 17.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.414 ' N ' HG21 ' A' ' 37' ' ' ILE . . . -92.76 78.12 4.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 10.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.479 HG13 ' CMD' ' A' ' 98' ' ' HEC . 27.3 mm -104.54 137.34 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.401 1.063 . . . . 10.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER 168.83 158.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 10.0 109.337 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 38.0 tttt -38.98 136.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 10.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 15.2 tttm 90.88 -68.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 10.0 109.234 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 33.1 m -59.16 -59.84 4.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 10.0 110.008 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.62 -17.11 19.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 10.0 109.371 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -98.83 -1.27 40.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 10.0 109.61 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.416 ' C ' ' N ' ' A' ' 48' ' ' ALA . 2.7 tttt -103.7 -158.56 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 10.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' ALA . 4.0 m-20 -46.66 -25.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 10.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -40.06 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 10.0 109.344 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.464 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 70.5 m -95.98 -67.96 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 10.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 51' ' ' THR . 0.7 OUTLIER -53.67 102.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.394 1.059 . . . . 10.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER 168.85 -59.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 10.0 110.367 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -52.47 65.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 10.0 108.287 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -56.75 -42.15 78.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 10.0 109.539 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -51.5 -30.25 19.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 10.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.5 t -52.32 -64.99 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 10.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -105.57 -76.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 10.0 109.375 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -169.37 159.73 8.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 10.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.25 -160.64 34.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 10.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.449 ' HB3' ' CA ' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -74.99 74.11 4.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 10.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.0 m -79.25 -43.34 23.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 10.0 110.377 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.41 ' CG ' ' N ' ' A' ' 62' ' ' CYS . 0.4 OUTLIER -97.02 -172.86 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 10.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.41 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -63.53 -177.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 10.0 108.321 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.71 28.82 3.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 10.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.449 ' CA ' ' HB3' ' A' ' 59' ' ' PRO . . . -107.12 -66.34 0.63 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.084 -0.806 . . . . 10.0 111.084 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.78 -64.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.285 -1.006 . . . . 10.0 108.285 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -56.1 160.29 2.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 10.0 109.603 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.1 mt -123.04 102.9 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 10.0 109.362 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.4 tttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 10.0 109.338 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.52 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.464 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 0.479 ' CHC' HBB1 ' A' ' 158' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.4 OUTLIER 158.97 -32.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 10.0 109.28 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -172.16 128.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 10.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.433 ' CG1' ' CZ ' ' A' ' 6' ' ' TYR . 33.9 t -118.44 65.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 10.0 109.365 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.8 m -71.54 113.89 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 10.0 110.373 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.433 ' CZ ' ' CG1' ' A' ' 4' ' ' VAL . 37.1 m-85 -98.54 120.68 39.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.398 1.061 . . . . 10.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -88.52 115.91 26.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 10.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -116.58 -172.58 2.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 10.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -36.78 23.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 10.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.05 50.77 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 10.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.83 -124.55 7.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 10.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.415 ' ND2' HD12 ' A' ' 67' ' ' ILE . 8.7 p-10 177.03 153.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 10.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -109.24 114.48 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 10.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' A' ' 14' ' ' THR . 8.4 m -81.04 51.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 10.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.463 ' CE1' HBC1 ' A' ' 98' ' ' HEC . 83.5 t80 -46.61 168.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 10.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.447 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 20.6 m-20 -147.91 147.8 30.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 10.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.95 -54.61 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 10.0 109.551 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -85.52 -45.84 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 10.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.13 -29.3 65.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.549 1.156 . . . . 10.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.53 ' CD2' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -85.77 -52.61 5.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 10.0 109.582 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.11 -29.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 10.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 20' ' ' HIS . 1.3 mm-40 -47.11 -58.48 3.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 10.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -89.34 -47.38 8.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 10.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.58 HD22 ' C3C' ' A' ' 128' ' ' HEC . 1.4 mp -49.6 -87.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 26' ' ' CYS . . . 122.92 5.95 7.95 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.464 1.102 . . . . 10.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.8 m 83.82 -69.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.318 -0.993 . . . . 10.0 108.318 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -41.75 -28.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 10.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.469 ' HB2' ' CBC' ' A' ' 128' ' ' HEC . . . -50.21 -42.6 51.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 10.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.378 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 2.5 m -107.14 -54.35 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 10.0 108.355 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.47 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 47.2 m-70 -82.79 -176.85 6.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 10.0 109.579 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -160.63 112.62 1.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 10.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 44.34 92.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 10.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.0 m 69.6 105.15 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 10.0 110.363 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -75.02 -163.18 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 10.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 177.42 -58.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 10.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -177.2 172.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 10.0 109.279 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.405 HD12 ' C1D' ' A' ' 98' ' ' HEC . 5.7 mt -143.22 158.78 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 10.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' N ' HG23 ' A' ' 37' ' ' ILE . . . -103.95 93.58 4.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 10.0 109.349 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.497 HG13 ' CMD' ' A' ' 98' ' ' HEC . 13.8 mm -123.3 139.62 49.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 10.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -171.93 -60.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 10.0 109.268 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.511 ' HA ' ' CE1' ' A' ' 45' ' ' HIS . 4.1 tmtt? -177.87 66.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 10.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.63 -77.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 10.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -66.81 -49.34 66.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 10.0 110.066 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.476 ' CB ' HD11 ' A' ' 39' ' ' ILE . . . -57.01 -17.55 10.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.593 1.183 . . . . 10.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.511 ' CE1' ' HA ' ' A' ' 41' ' ' LYS . 60.2 m80 -98.56 0.61 45.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 10.0 109.628 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -111.3 -164.88 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 10.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.442 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 7.3 m-20 -39.53 -29.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 10.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -40.16 -54.45 2.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 10.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.415 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 3.7 m -123.64 -48.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 10.0 108.373 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 49' ' ' CYS . 2.8 mmtt -37.13 -55.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 10.0 109.321 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.442 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 6.8 m -68.16 -57.26 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 10.0 110.428 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.537 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 3.0 t -73.92 96.86 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 108.343 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER 162.76 -36.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 10.0 109.642 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -101.59 60.26 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 109.36 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.71 -49.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 10.0 109.951 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.33 -61.85 1.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 10.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -166.29 123.58 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 10.0 109.253 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 175.99 158.72 20.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.579 1.174 . . . . 10.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.478 ' HG2' ' CA ' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -75.01 138.87 23.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 10.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -144.52 16.58 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 10.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -28.59 54.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 10.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.388 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 44.1 t -177.23 -106.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 10.0 108.317 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . -56.89 -71.78 0.68 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 10.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.478 ' CA ' ' HG2' ' A' ' 59' ' ' PRO . . . 68.65 -57.86 0.49 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.015 -0.834 . . . . 10.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.381 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 2.2 p -88.97 -1.22 58.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -96.48 139.37 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 10.0 109.595 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.415 HD12 ' ND2' ' A' ' 12' ' ' ASN . 3.3 mp -102.36 91.18 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 10.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 10.0 109.241 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.378 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.415 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.388 ' CAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -40.93 -54.5 2.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 10.0 109.35 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.7 t -110.49 156.4 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 10.0 109.37 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.485 HG11 ' CE2' ' A' ' 6' ' ' TYR . 79.7 t -134.51 146.97 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 10.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.17 124.4 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 10.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.485 ' CE2' HG11 ' A' ' 4' ' ' VAL . 59.7 m-85 -118.26 133.87 55.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 10.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -87.98 143.72 26.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 10.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -154.64 170.06 22.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 10.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -102.19 26.21 7.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 10.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.56 59.95 0.69 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 10.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.84 139.11 0.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 10.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.38 138.29 38.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 10.0 109.313 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 p -113.48 60.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 10.0 109.35 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -55.43 127.42 29.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 10.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CZ ' HBB1 ' A' ' 128' ' ' HEC . 2.5 m-30 -101.88 -179.73 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.391 1.057 . . . . 10.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.474 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 61.1 m-20 -143.11 133.81 25.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 10.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.87 -58.7 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 10.0 109.588 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.12 -33.73 16.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 10.0 109.262 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.33 66.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 10.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.569 ' CD2' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -88.13 -52.52 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 10.0 109.645 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.04 -29.35 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 10.0 109.238 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 20' ' ' HIS . 2.8 mt-10 -49.32 -51.2 35.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.168 . . . . 10.0 110.307 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.24 -40.5 10.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 10.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.569 HD12 ' CD2' ' A' ' 20' ' ' HIS . 6.2 mp -68.69 -105.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 10.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.526 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 133.83 40.19 0.19 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 10.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 61.83 -77.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 25' ' ' GLY . 7.2 m-20 -38.35 -41.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 10.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -39.38 -38.13 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 10.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.378 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.6 OUTLIER -111.8 -59.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 10.0 108.242 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 73.5 m-70 -68.02 -162.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 10.0 109.607 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -166.67 95.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 10.0 110.374 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.36 96.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.535 1.147 . . . . 10.0 111.013 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.7 m 68.39 104.82 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 10.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.46 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.5 Cg_endo -75.0 -172.99 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.585 1.834 . . . . 10.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -176.14 -52.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 10.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -179.88 -177.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 10.0 109.322 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 36' ' ' LYS . 23.3 mt -154.33 142.81 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 10.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.98 94.44 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 10.0 109.294 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.46 HG13 ' CGD' ' A' ' 98' ' ' HEC . 32.3 mm -116.86 110.65 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 10.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -172.56 -70.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 10.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -167.3 65.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 10.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.58 -72.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 10.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -77.51 -35.08 53.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 10.0 109.993 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.415 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . . . -62.45 -11.76 17.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 10.0 109.237 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -122.2 7.63 9.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 10.0 109.576 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 47' ' ' ASP . 16.6 mtpt -137.18 -119.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 10.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.508 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -37.2 -71.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.399 1.062 . . . . 10.0 109.259 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.508 ' C ' ' O ' ' A' ' 47' ' ' ASP . . . -31.82 -76.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.365 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 62.1 m -91.26 -132.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 10.0 108.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' CYS . 1.6 mmtt 37.32 32.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 10.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 52' ' ' CYS . 10.9 t -152.53 166.21 32.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 10.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.616 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 10.9 t 34.82 71.9 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 10.0 108.294 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 6.7 m-70 178.69 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 10.0 109.634 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' HA ' ' CG2' ' A' ' 60' ' ' THR . 25.1 mtmt -40.17 -31.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 10.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -111.76 -66.46 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.075 . . . . 10.0 109.963 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -53.73 157.57 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 10.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.26 -71.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 10.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 132.31 -69.07 0.54 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.491 1.119 . . . . 10.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 121.0 6.3 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.522 1.801 . . . . 10.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.416 ' CG2' ' HA ' ' A' ' 54' ' ' LYS . 80.8 p -115.48 -39.87 3.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 10.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -73.12 -149.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 10.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.387 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 0.5 OUTLIER -54.19 168.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 10.0 108.3 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 49.85 31.28 16.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.432 1.083 . . . . 10.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.78 -62.15 0.65 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.923 -0.871 . . . . 10.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.392 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 1.2 p -108.64 -51.89 2.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.262 -1.014 . . . . 10.0 108.262 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -51.91 135.1 30.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 10.0 109.564 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.1 mt -89.24 94.84 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 10.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 10.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.378 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.365 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.392 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.14 -19.12 24.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 10.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.3 t -141.58 144.57 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 10.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.521 ' HB ' ' CD1' ' A' ' 15' ' ' PHE . 4.8 t -136.29 57.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 10.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.3 m -69.68 103.27 2.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 10.0 110.347 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.513 ' CG ' HBD2 ' A' ' 158' ' ' HEC . 46.6 m-85 -81.9 119.95 24.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 10.0 111.085 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -97.53 128.67 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 10.0 110.352 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -136.28 177.33 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 10.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -19.46 52.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.48 52.27 0.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 10.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.65 -141.7 15.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 10.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.3 p30 174.01 128.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 10.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 m -85.92 132.0 33.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 10.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.408 ' O ' ' OD1' ' A' ' 16' ' ' ASP . 18.0 m -89.04 38.85 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 10.0 110.317 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.568 ' CE2' HBC2 ' A' ' 98' ' ' HEC . 20.2 t80 -43.93 155.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 10.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.444 ' OD2' ' ND1' ' A' ' 20' ' ' HIS . 3.6 m-20 -141.22 150.68 42.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -109.99 -52.01 2.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 10.0 109.642 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.04 -37.13 13.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 10.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.79 -24.45 65.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 10.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.502 ' CE1' ' C1A' ' A' ' 128' ' ' HEC . 0.1 OUTLIER -88.52 -48.6 7.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 10.0 109.625 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.78 -53.99 10.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 10.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -50.92 -21.4 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 10.0 110.327 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' HIS . 15.9 mmmt -102.16 -28.5 12.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 10.0 109.233 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.528 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 1.4 mt -97.72 -121.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 10.0 109.369 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 174.15 35.34 0.04 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.476 1.11 . . . . 10.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.384 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.0 OUTLIER 61.85 -74.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -42.88 -26.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 10.0 109.379 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.528 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -56.65 -39.76 74.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 10.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.38 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 61.6 m -105.81 -51.49 2.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 10.0 108.272 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.517 ' CE1' ' NA ' ' A' ' 98' ' ' HEC . 37.4 m-70 -91.52 -172.76 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 10.0 109.572 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 175.48 111.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 10.0 110.299 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.76 -62.14 0.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.108 . . . . 10.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -160.68 113.77 1.35 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 10.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.2 Cg_endo -75.05 117.97 5.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 10.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -129.98 -44.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 10.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -179.92 158.6 0.77 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 10.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.551 ' CD1' ' C1D' ' A' ' 98' ' ' HEC . 17.1 mt -121.85 -0.43 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 10.0 109.355 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 48.34 96.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 10.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.448 HG13 ' CMD' ' A' ' 98' ' ' HEC . 18.0 mm -119.48 135.84 58.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 10.0 109.236 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.96 -69.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.082 . . . . 10.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -178.4 52.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.505 1.128 . . . . 10.0 109.353 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.94 -79.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 10.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -50.74 -49.4 57.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 10.0 110.023 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.23 -17.11 10.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 10.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -101.02 0.74 38.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 10.0 109.544 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -109.53 -157.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 10.0 109.231 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.8 OUTLIER -47.97 -29.65 3.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 10.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -39.12 -61.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 10.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 51' ' ' THR . 88.7 m -122.51 -102.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 10.0 108.362 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER 35.51 -93.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 10.0 109.308 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.558 ' N ' ' O ' ' A' ' 49' ' ' CYS . 37.5 p -39.82 -66.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 38.1 t -49.73 95.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 10.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.538 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER 160.29 -29.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 10.0 109.615 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -76.65 55.95 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 10.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.4 t -137.04 -69.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 10.0 109.984 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -87.2 -64.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 10.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -87.8 -178.65 6.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.39 65.34 0.53 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.434 1.084 . . . . 10.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 54.55 3.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 10.0 111.01 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.5 m -65.38 -61.7 1.96 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 10.0 110.459 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 62' ' ' CYS . 1.8 ptmt -75.86 153.52 36.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 10.0 109.364 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.417 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 83.6 m -41.62 -53.01 3.66 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.464 1.103 . . . . 10.0 108.216 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 62' ' ' CYS . . . -36.78 -32.07 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.137 . . . . 10.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -47.55 -75.61 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.923 -0.871 . . . . 10.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.474 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 9.1 m -76.78 -58.09 3.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.247 -1.02 . . . . 10.0 108.247 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.634 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 30.5 m-70 -78.05 91.08 4.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 10.0 109.588 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.6 mm -56.66 90.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.441 1.088 . . . . 10.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 66' ' ' HIS . 5.9 mmtp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 10.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.384 ' CAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 0.542 ' CHC' HBC3 ' A' ' 98' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.474 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.412 ' H ' ' CG ' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.319 -0.622 . . . . 10.0 109.319 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 0.9 OUTLIER 55.8 47.33 20.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 10.0 109.287 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 40.5 t 70.05 127.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.395 1.059 . . . . 10.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.407 ' CG1' ' CE2' ' A' ' 6' ' ' TYR . 85.0 t -122.8 152.56 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 10.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -118.16 114.83 23.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 10.0 110.358 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.518 ' CD1' ' O1D' ' A' ' 158' ' ' HEC . 29.3 m-85 -116.89 80.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 10.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.34 139.03 58.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 10.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -138.25 160.96 38.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 10.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.97 -59.69 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 10.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.82 -79.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 10.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.4 -85.56 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.567 1.167 . . . . 10.0 110.977 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 179.05 135.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 10.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.409 HG23 ' C2D' ' A' ' 158' ' ' HEC . 13.3 p -114.45 45.6 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 10.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 m -42.51 120.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.569 ' CE2' HBB2 ' A' ' 128' ' ' HEC . 5.5 m-85 -77.11 177.19 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.369 1.043 . . . . 10.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.564 ' HB2' ' CD2' ' A' ' 20' ' ' HIS . 11.9 m-20 -143.79 126.58 16.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.366 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 2.1 t-80 -122.34 -62.47 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 10.0 109.646 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -27.28 39.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 10.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -80.94 -22.08 39.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 10.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -99.46 -43.22 6.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 10.0 109.573 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 17' ' ' HIS . . . -62.71 -12.34 23.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 10.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -72.45 -26.14 61.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.069 . . . . 10.0 110.307 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' CE ' HAD1 ' A' ' 128' ' ' HEC . 0.0 OUTLIER -118.83 -41.12 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 10.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.609 HD22 ' C3C' ' A' ' 128' ' ' HEC . 10.0 mp -57.31 -79.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.439 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 120.56 16.14 4.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 10.0 111.033 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.7 OUTLIER 76.05 -61.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.276 -1.009 . . . . 10.0 108.276 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -45.87 -26.43 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 10.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -60.37 -38.68 84.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 10.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.4 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 19.0 m -104.25 -54.56 2.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 10.0 108.333 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.5 ' CE1' HD13 ' A' ' 37' ' ' ILE . 61.2 m-70 -89.79 -174.64 4.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 10.0 109.579 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -176.38 100.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 10.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.48 87.53 0.2 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.413 1.071 . . . . 10.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.4 m 70.94 103.93 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 10.0 110.389 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.442 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.2 Cg_endo -75.08 168.11 25.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 10.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -172.92 172.76 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 10.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -65.09 108.94 2.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 10.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.5 HD13 ' CE1' ' A' ' 30' ' ' HIS . 82.7 mt -72.3 164.64 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 10.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.423 ' N ' HG21 ' A' ' 37' ' ' ILE . . . -99.57 91.44 4.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 10.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 mm -105.67 138.41 30.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.14 . . . . 10.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER 176.8 173.58 0.42 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 10.0 109.329 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.445 ' NZ ' ' OD1' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -69.9 59.78 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 10.0 109.317 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -157.41 -52.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 10.0 109.346 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -103.23 -36.37 8.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 10.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.94 -18.94 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 109.308 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -101.4 7.42 42.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 10.0 109.569 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -119.13 -161.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.424 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 0.7 OUTLIER -41.41 -29.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 10.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -39.91 -53.77 2.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 10.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.9 m -121.62 -53.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 10.0 108.273 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' O ' ' C ' ' A' ' 51' ' ' THR . 4.8 mttt -33.56 -78.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 10.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.534 ' C ' ' O ' ' A' ' 50' ' ' LYS . 1.2 m -27.2 -85.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 10.0 110.384 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 9.0 t -61.42 83.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 10.0 108.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.487 ' HB3' ' CG ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER 166.97 -39.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 10.0 109.62 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -83.39 69.79 10.07 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 10.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.35 -54.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 10.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.4 -66.29 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 10.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -67.36 -78.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 10.0 109.268 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.89 79.04 1.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.429 1.08 . . . . 10.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.01 7.72 2.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.506 1.793 . . . . 10.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.506 ' C ' ' O ' ' A' ' 59' ' ' PRO . 32.2 m -30.28 -64.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 10.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -65.48 144.23 57.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 10.0 109.356 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.37 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 61.7 m -50.39 -43.55 54.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 10.0 108.282 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.71 -21.0 4.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.411 1.07 . . . . 10.0 111.016 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.86 -74.05 0.42 Allowed Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.045 -0.822 . . . . 10.0 111.045 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.377 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 1.2 m -75.56 -61.83 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.234 -1.024 . . . . 10.0 108.234 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.425 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 68.4 m-70 -80.0 90.97 5.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 10.0 109.577 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 mp -49.7 103.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 109.231 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tttt . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 10.0 109.343 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.4 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 0.609 ' C3C' HD22 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.377 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 65.32 78.43 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 10.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.7 t 66.51 91.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 10.0 109.262 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.5 t -76.71 170.01 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.385 1.053 . . . . 10.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -142.06 110.27 5.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.557 1.161 . . . . 10.0 110.369 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -109.64 82.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 10.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.88 134.18 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 10.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 11' ' ' GLY . 25.0 p30 -149.75 -171.52 3.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 10.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -34.2 14.22 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 10.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -86.43 51.65 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 10.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.462 ' O ' ' ND2' ' A' ' 8' ' ' ASN . . . 64.64 135.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.445 1.091 . . . . 10.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.61 140.32 56.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 10.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 14' ' ' THR . 5.6 p -104.17 57.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 10.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' VAL . 4.0 m -37.54 111.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 10.0 110.431 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.603 ' CE2' HBB3 ' A' ' 128' ' ' HEC . 2.8 t80 -81.19 171.3 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.503 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 4.9 m-20 -137.94 122.2 18.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 10.0 109.311 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.444 ' CE1' ' NB ' ' A' ' 98' ' ' HEC . 1.8 t-80 -113.3 -47.61 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 10.0 109.551 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -87.11 -58.59 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 10.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.1 -29.8 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 10.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.503 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -75.85 -50.47 15.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 10.0 109.605 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' CB ' HBB2 ' A' ' 98' ' ' HEC . . . -60.83 -32.23 71.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 10.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -46.12 -44.27 15.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 10.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -104.27 -30.4 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 10.0 109.227 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.571 ' CD2' ' CBC' ' A' ' 128' ' ' HEC . 1.7 mp -93.94 -115.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 10.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.417 ' O ' ' HHC' ' A' ' 98' ' ' HEC . . . 164.42 -161.98 34.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 10.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.381 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.2 OUTLIER -100.58 -27.96 13.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.361 -0.977 . . . . 10.0 108.361 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.37 -13.26 59.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 10.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.82 -48.69 65.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 10.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.378 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 26.5 m -103.07 -42.05 5.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 10.0 108.31 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.57 ' CE1' HD12 ' A' ' 37' ' ' ILE . 2.5 m-70 -102.23 -142.88 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 10.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.68 -160.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 10.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.23 -22.08 3.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 10.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.1 m -150.98 106.84 3.02 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 10.0 110.354 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.527 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.5 Cg_endo -74.93 -163.17 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 10.0 111.088 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 179.55 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 10.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -179.69 171.77 1.17 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 10.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.57 HD12 ' CE1' ' A' ' 30' ' ' HIS . 8.0 mt -146.13 145.4 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 10.0 109.298 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.18 109.9 20.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 10.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 mm -118.21 139.28 46.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 10.0 109.228 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 42' ' ' LYS . 19.9 p-10 175.83 160.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 10.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.34 70.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 10.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -170.48 -51.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 10.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 6.0 m -103.76 -34.97 8.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 10.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.91 -16.98 20.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 10.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -100.21 -1.42 36.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 10.0 109.555 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.14 -155.61 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 10.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.43 -23.89 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 10.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -41.03 -65.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 10.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.84 -70.58 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 10.0 108.286 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.46 100.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 10.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 179.91 -42.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.07 . . . . 10.0 110.361 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.45 -47.58 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 10.0 108.297 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.578 ' CE1' ' HD2' ' A' ' 59' ' ' PRO . 8.5 m170 -41.4 -54.79 2.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 10.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.87 79.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 10.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' HIS . 3.0 t 174.97 -34.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 10.0 110.016 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -136.78 171.71 14.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 10.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -50.95 121.52 6.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 10.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 173.69 179.78 44.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 10.0 111.075 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.578 ' HD2' ' CE1' ' A' ' 53' ' ' HIS . 18.4 Cg_endo -74.96 117.74 5.02 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.519 1.799 . . . . 10.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 m -119.29 -52.85 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 1.182 . . . . 10.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -111.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 37.9 t -138.32 -54.7 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 10.0 108.295 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.9 58.93 0.75 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 10.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.56 -52.34 0.07 OUTLIER Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.467 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 71.3 m -81.75 -55.2 4.78 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.258 -1.015 . . . . 10.0 108.258 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.53 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 52.4 m-70 -80.98 119.66 23.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 10.0 109.647 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.5 mt -100.39 119.33 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 10.0 109.283 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 10.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.381 ' CAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 0.603 HBB3 ' CE2' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.467 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.539 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 3.6 m-20 86.32 -15.66 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 10.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.9 172.75 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 10.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.42 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 24.5 t -142.13 72.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 10.0 109.346 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.5 m -43.96 155.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 10.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.565 ' CD1' ' O1D' ' A' ' 158' ' ' HEC . 0.3 OUTLIER -161.75 38.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 10.0 111.026 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.39 160.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 10.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.05 158.16 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 109.317 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -60.16 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 10.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.92 -72.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 10.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.01 -102.92 0.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 10.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -178.18 141.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 0.725 . . . . 10.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.476 HG21 ' C1D' ' A' ' 158' ' ' HEC . 8.7 p -127.64 64.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 10.0 109.304 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -58.25 116.69 3.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 10.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.583 ' CE2' HBB3 ' A' ' 128' ' ' HEC . 10.4 m-85 -76.25 -172.34 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 10.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -154.64 116.45 4.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 10.0 109.349 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -94.52 -54.58 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 10.0 109.582 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -83.08 -41.25 18.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 10.0 109.298 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 16' ' ' ASP . . . -53.93 -29.25 41.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 21' ' ' ALA . 12.5 m170 -98.06 -64.75 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 10.0 109.601 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -37.02 -38.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 10.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.01 -38.8 3.72 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 10.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.532 ' HE3' ' C2D' ' A' ' 128' ' ' HEC . 0.0 OUTLIER -110.07 -55.98 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 10.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.62 HD23 ' C3C' ' A' ' 128' ' ' HEC . 9.2 mp -39.21 -78.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 10.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 121.53 10.4 6.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 10.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.419 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 1.8 m 81.79 -53.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.241 -1.022 . . . . 10.0 108.241 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -68.61 60.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 10.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.482 ' HB2' ' CBC' ' A' ' 128' ' ' HEC . . . -135.4 -49.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 10.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.414 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 0.1 OUTLIER -111.94 -17.27 12.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.075 . . . . 10.0 108.267 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -100.62 -172.9 2.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 10.0 109.664 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.88 116.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 10.0 110.25 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.07 95.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 10.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.4 m 67.37 104.45 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 10.0 110.411 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.598 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.1 Cg_endo -75.02 124.59 8.73 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.801 . . . . 10.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.79 168.17 20.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 10.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.6 116.06 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 10.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.0 mt -83.58 145.01 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 10.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.35 86.28 3.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 10.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.48 HG13 ' CMD' ' A' ' 98' ' ' HEC . 6.6 mm -104.46 141.76 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 10.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 42' ' ' LYS . 4.3 p-10 171.56 165.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 10.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 42' ' ' LYS . 3.4 ttpt -55.0 86.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 10.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER 176.9 -53.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 10.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -105.67 -36.8 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 10.0 109.985 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.469 ' HB1' ' CMD' ' A' ' 158' ' ' HEC . . . -56.19 -18.65 10.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.435 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 13.8 m170 -97.96 3.61 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -114.75 -164.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 10.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.468 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 4.6 t0 -40.89 -28.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 10.0 109.338 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -38.09 -57.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 10.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' LYS . 92.8 m -122.45 -50.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 10.0 108.31 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' CYS . 1.4 mmtp -34.13 -73.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 10.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.468 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 1.4 m -34.71 -80.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 10.0 110.384 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 8.9 t -59.42 101.09 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 10.0 108.255 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 59' ' ' PRO . 0.6 OUTLIER 160.38 -45.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 10.0 109.607 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -75.18 59.03 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 10.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -131.28 -52.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 10.0 110.009 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.0 -66.83 0.97 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.51 1.131 . . . . 10.0 109.321 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.454 ' ND2' ' CGD' ' A' ' 128' ' ' HEC . 70.2 m-20 -101.24 -59.22 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 10.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.32 69.3 1.41 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 10.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.553 ' HG2' ' CE1' ' A' ' 53' ' ' HIS . 18.4 Cg_endo -75.05 56.38 4.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.783 . . . . 10.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.429 ' HA ' ' CMC' ' A' ' 158' ' ' HEC . 44.6 p -110.39 63.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 10.0 110.422 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 63' ' ' GLY . 4.4 pttt -159.87 43.71 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 10.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.385 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 0.9 OUTLIER 68.25 -73.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 10.0 108.27 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -49.15 -23.26 3.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 10.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.94 -74.29 0.34 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.037 -0.825 . . . . 10.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.387 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 0.3 OUTLIER -91.69 -68.36 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.271 -1.011 . . . . 10.0 108.271 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -51.9 150.01 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 10.0 109.629 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.1 mm -123.45 138.85 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 10.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 10.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.419 ' CAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 0.62 ' C3C' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.387 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.464 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 2.6 p-10 -59.53 -12.31 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 10.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.496 ' CG2' ' OD1' ' A' ' 16' ' ' ASP . 2.3 t -164.81 142.34 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 10.0 109.36 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.472 HG13 ' CE2' ' A' ' 6' ' ' TYR . 89.0 t -130.88 70.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 10.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 m -74.93 93.67 2.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 10.0 110.433 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.499 ' CG ' HBD1 ' A' ' 158' ' ' HEC . 23.3 m-85 -65.49 120.34 12.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 10.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -100.22 113.96 27.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 10.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -125.94 -175.25 3.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 10.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -101.6 38.54 1.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 10.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.85 -64.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 10.0 109.368 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 12' ' ' ASN . . . -152.83 -44.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.523 1.139 . . . . 10.0 110.981 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER 82.44 120.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 0.785 . . . . 10.0 109.261 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.427 HG13 ' C1D' ' A' ' 158' ' ' HEC . 5.5 m -91.18 136.22 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 10.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.8 m -92.19 50.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 110.415 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.574 ' CZ ' HBC3 ' A' ' 98' ' ' HEC . 53.1 t80 -42.49 166.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 10.0 110.989 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.496 ' OD1' ' CG2' ' A' ' 3' ' ' VAL . 3.6 m-20 -149.74 129.63 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 10.0 109.242 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.451 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -102.0 -45.96 5.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.379 1.049 . . . . 10.0 109.573 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -32.5 21.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 10.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -69.76 -33.48 72.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 10.0 109.232 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.568 ' CE1' ' CHA' ' A' ' 128' ' ' HEC . 0.4 OUTLIER -85.36 -57.3 3.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 10.0 109.608 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 22' ' ' GLU . . . -39.99 -59.95 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 21' ' ' ALA . 17.5 pt-20 -33.44 -39.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 10.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -96.43 -64.32 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 10.0 109.342 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.627 HD23 ' C3C' ' A' ' 128' ' ' HEC . 8.3 mp -45.45 -79.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 10.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.439 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 121.03 15.12 4.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.379 1.049 . . . . 10.0 110.959 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.0 OUTLIER 77.14 -63.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.254 -1.017 . . . . 10.0 108.254 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -44.66 -25.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 10.0 109.209 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.496 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -58.95 -43.49 91.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 10.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.386 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 33.4 m -102.66 -50.15 3.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 10.0 108.315 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 36.3 m-70 -99.65 -151.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 10.0 109.638 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' CG ' ' N ' ' A' ' 32' ' ' GLY . 1.2 pt-20 -156.35 -142.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 110.27 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.439 ' N ' ' CG ' ' A' ' 31' ' ' GLU . . . -54.89 -28.76 48.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 10.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -143.22 106.87 5.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 10.0 110.365 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.476 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -75.04 -172.74 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.533 1.807 . . . . 10.0 111.053 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 34' ' ' PRO . . . 166.48 166.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 10.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -65.32 110.51 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 10.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.9 mt -82.52 -11.21 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 10.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 60.4 90.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 10.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.511 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 4.8 mm -98.04 125.06 51.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 10.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.2 m-20 155.33 154.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 10.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 40' ' ' ASP . 14.0 mttm 82.21 -150.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 10.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.25 50.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 10.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 49.1 m -128.49 -60.66 1.11 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 10.0 109.987 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.411 ' CB ' HG22 ' A' ' 39' ' ' ILE . . . -56.61 -17.88 10.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 10.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.618 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 22.4 m170 -96.52 -0.71 48.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 10.0 109.638 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 48' ' ' ALA . 6.5 mttt -109.0 -163.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.441 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 8.9 p-10 -45.21 -24.46 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 10.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -40.48 -53.98 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 10.0 109.339 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.507 ' O ' ' C ' ' A' ' 50' ' ' LYS . 69.7 m -125.38 -53.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 10.0 108.313 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 49' ' ' CYS . 1.2 mttt -32.25 -71.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.603 1.189 . . . . 10.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 50' ' ' LYS . 1.2 m -35.44 -70.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 10.0 110.418 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 1.1 t -75.49 81.76 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 10.0 108.314 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.45 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.7 OUTLIER 166.41 -31.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 10.0 109.659 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -61.1 -45.17 95.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 10.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 99.8 p -92.07 43.56 1.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 10.0 110.018 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.92 -172.7 2.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -124.72 122.09 36.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.12 -125.91 4.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.561 1.163 . . . . 10.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.475 ' HB3' ' CA ' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -74.92 143.67 29.61 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.447 1.761 . . . . 10.0 111.042 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.431 ' CB ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER 170.58 -31.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 10.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 63' ' ' GLY . 30.6 pttt -79.98 52.92 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 10.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.367 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 44.6 t 64.88 -75.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 10.0 108.349 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -67.22 60.66 0.24 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.545 1.153 . . . . 10.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.475 ' CA ' ' HB3' ' A' ' 59' ' ' PRO . . . -129.84 -53.61 0.1 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.972 -0.851 . . . . 10.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.39 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 2.7 m -81.64 -41.87 20.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.334 -0.987 . . . . 10.0 108.334 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.509 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 59.7 m-70 -95.98 94.42 7.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 10.0 109.686 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 tt -67.39 178.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 10.0 109.226 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 10.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.386 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 0.627 ' C3C' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.39 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.466 ' N ' ' ND1' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -168.78 -42.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 10.0 109.238 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -174.03 74.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 10.0 109.317 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.1 t -56.63 157.43 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 10.0 109.263 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -135.71 125.41 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 10.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -124.26 88.38 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.428 1.08 . . . . 10.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.06 134.72 36.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 2.8 p30 -134.53 -176.33 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 10.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -62.65 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 10.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.17 -86.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 10.0 109.371 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -148.96 122.95 1.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.573 1.171 . . . . 10.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -45.28 146.79 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 0.722 . . . . 10.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.417 ' CG1' HBD1 ' A' ' 158' ' ' HEC . 13.0 p -125.66 52.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 10.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -47.92 116.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 10.0 110.416 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.43 ' CZ ' HG23 ' A' ' 39' ' ' ILE . 61.3 m-85 -75.18 -172.15 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 10.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.507 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 56.0 m-20 -149.65 125.28 10.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 10.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.466 ' ND1' ' N ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -109.59 -63.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 10.0 109.562 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.54 -47.69 18.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 10.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.508 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -58.12 -27.49 63.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 10.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.507 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -90.38 -53.49 4.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.557 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 23' ' ' LYS . . . -42.17 -50.01 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 10.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -41.67 -27.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 21' ' ' ALA . 15.5 mmtm -106.11 -54.81 2.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 10.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.618 HD23 ' C3C' ' A' ' 128' ' ' HEC . 6.0 mp -61.32 -106.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 10.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.528 ' O ' ' CB ' ' A' ' 26' ' ' CYS . . . 158.51 -47.15 0.44 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.451 1.094 . . . . 10.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.533 ' SG ' ' CMB' ' A' ' 98' ' ' HEC . 1.3 m 156.45 -66.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.327 -0.99 . . . . 10.0 108.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.434 ' HA ' ' O ' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -41.07 -28.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 10.0 109.351 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.494 ' CB ' HD22 ' A' ' 24' ' ' LEU . . . -39.47 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 10.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.349 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -100.52 -22.02 15.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.443 ' CE1' HD12 ' A' ' 37' ' ' ILE . 86.2 m-70 -107.11 -160.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 10.0 109.608 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -148.81 -149.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 10.0 110.268 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.77 -18.95 54.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 10.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.3 m -154.84 109.13 2.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 10.0 110.438 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.478 ' HG3' ' CMB' ' A' ' 98' ' ' HEC . 18.3 Cg_endo -74.97 -163.63 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 10.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.422 ' O ' HAA2 ' A' ' 98' ' ' HEC . . . 171.34 -57.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 10.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.07 156.56 1.04 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 10.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 29' ' ' CYS . 36.3 mt -130.16 146.05 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 10.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.5 106.72 19.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 10.0 109.292 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.43 HG23 ' CZ ' ' A' ' 15' ' ' PHE . 8.1 mm -116.16 121.27 67.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 10.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.53 172.18 12.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 10.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -70.37 60.43 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 10.0 109.366 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.32 -49.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 10.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -107.62 -36.45 6.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.596 1.185 . . . . 10.0 110.03 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.32 -18.43 10.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 10.0 109.358 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -99.64 5.58 45.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 10.0 109.64 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 48' ' ' ALA . 1.3 mmtt -116.77 -165.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 10.0 109.278 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.446 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 73.0 m-20 -39.46 -29.49 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 10.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -39.52 -57.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.179 . . . . 10.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 50' ' ' LYS . 57.3 m -120.42 -51.59 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 10.0 108.351 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -33.74 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 10.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 50' ' ' LYS . 1.5 m -32.92 -75.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 10.0 110.35 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 2.6 t -71.62 85.53 0.89 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 10.0 108.335 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.473 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER 165.19 -46.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 10.0 109.613 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.18 67.77 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 10.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.7 t -173.39 -60.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 10.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -88.68 -177.66 5.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 10.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -59.84 104.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 10.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.61 -155.43 8.2 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 10.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 162.78 36.54 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.447 1.762 . . . . 10.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 178.99 -35.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 10.0 110.361 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -91.41 36.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 10.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.399 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 42.6 t 41.98 87.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 108.323 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.23 -31.71 0.65 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.608 1.192 . . . . 10.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.24 -35.81 3.87 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.474 ' HB2' ' C2C' ' A' ' 158' ' ' HEC . 0.8 OUTLIER -93.36 -45.03 8.0 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.337 -0.986 . . . . 10.0 108.337 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.58 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 19.1 m-70 -97.12 102.61 14.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.407 1.067 . . . . 10.0 109.638 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 mt -70.9 96.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.6 tptt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 10.0 109.286 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.349 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 0.618 ' C3C' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.399 ' CAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.675 ' N ' ' HD1' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 t0 168.86 -51.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 10.0 109.269 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.4 p -164.98 146.68 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 10.0 109.241 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.403 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 56.0 t -137.04 64.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.421 1.075 . . . . 10.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.2 m -61.19 153.8 25.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 10.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -134.3 168.29 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 10.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -122.34 120.13 33.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 10.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -106.82 178.67 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 10.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -41.1 17.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 10.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.48 51.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.396 1.06 . . . . 10.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.93 -153.85 16.63 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.429 1.08 . . . . 10.0 110.96 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -151.66 131.85 13.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 10.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.482 ' CG2' HMB3 ' A' ' 128' ' ' HEC . 7.3 p -100.08 126.89 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 10.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.9 m -101.4 133.32 46.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 10.0 110.357 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -98.06 -178.57 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 10.0 111.029 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.551 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 62.9 m-20 -156.55 111.03 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 10.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.675 ' HD1' ' N ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -92.59 -49.33 6.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 10.0 109.623 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -44.82 12.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 10.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 16' ' ' ASP . . . -52.41 -29.14 22.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 10.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.648 ' CE1' ' C4D' ' A' ' 128' ' ' HEC . 0.6 OUTLIER -94.27 -57.43 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 10.0 109.558 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -40.65 -50.9 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 10.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -38.03 -30.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 10.0 110.376 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -102.36 -53.51 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 10.0 109.287 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.482 HD22 ' CB ' ' A' ' 28' ' ' ALA . 5.4 mp -65.23 -102.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 10.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 26' ' ' CYS . . . 130.51 43.32 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 10.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.389 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.0 OUTLIER 51.37 102.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.356 -0.979 . . . . 10.0 108.356 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 163.41 -29.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.482 ' CB ' HD22 ' A' ' 24' ' ' LEU . . . -74.25 -27.06 60.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 10.0 109.353 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.502 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 5.2 m -113.75 -47.92 2.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 10.0 108.326 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -99.92 178.67 4.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 10.0 109.635 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 170.88 74.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 10.0 110.257 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.7 -48.78 0.95 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 10.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.7 m -147.35 106.5 3.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.736 . . . . 10.0 110.449 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.548 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.96 86.17 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.57 1.826 . . . . 10.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.31 179.77 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 10.0 109.351 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' N ' HAA2 ' A' ' 98' ' ' HEC . 0.0 OUTLIER -70.6 113.14 7.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.515 HD12 ' C1D' ' A' ' 98' ' ' HEC . 41.0 mt -76.07 159.95 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 10.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.82 91.92 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.419 HG13 ' CMD' ' A' ' 98' ' ' HEC . 11.1 mm -104.29 133.03 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 10.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER 173.15 163.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 10.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -31.69 134.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 10.0 109.257 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 13.9 tttm 91.29 -68.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.48 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -57.12 -65.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 10.0 109.97 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.492 ' HA ' ' CB ' ' A' ' 48' ' ' ALA . . . -55.23 -18.0 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 10.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -95.17 8.43 43.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 10.0 109.638 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' SER . 7.0 ttpt -120.5 -149.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 10.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -39.68 -43.65 1.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.497 ' C ' ' O ' ' A' ' 47' ' ' ASP . . . -32.26 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 10.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.476 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 85.7 m -107.91 -104.01 0.35 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 10.0 108.313 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER 39.48 -90.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 10.0 109.334 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.584 ' N ' ' O ' ' A' ' 49' ' ' CYS . 7.7 t -38.88 -53.41 1.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 10.0 110.361 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.508 ' N ' ' CG2' ' A' ' 51' ' ' THR . 0.0 OUTLIER -53.89 165.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 10.0 108.282 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.566 ' CE1' ' C1B' ' A' ' 128' ' ' HEC . 35.9 m80 72.32 -58.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.599 1.187 . . . . 10.0 109.508 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -62.98 77.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER 177.08 -50.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 10.0 110.011 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -99.08 -73.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 10.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.446 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 2.9 t30 -179.93 160.46 0.89 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.525 1.141 . . . . 10.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.446 ' N ' ' CG ' ' A' ' 57' ' ' ASN . . . 127.89 -132.96 7.62 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 10.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 18.3 Cg_endo -75.02 110.51 3.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 10.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t -129.8 -43.9 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 10.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -61.5 -119.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 10.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.385 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 18.1 t -102.22 -76.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 10.0 108.357 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . -60.05 -82.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 10.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.19 -60.28 0.09 OUTLIER Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.39 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 0.0 OUTLIER -86.03 -54.16 4.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.458 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 78.3 m-70 -63.14 129.79 41.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.109 . . . . 10.0 109.564 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.4 mm -87.45 75.26 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 10.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.7 pttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 10.0 109.31 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.502 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.476 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.39 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.501 ' CB ' HG22 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.512 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 0.6 OUTLIER 42.14 33.81 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 10.0 109.337 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.481 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 4.5 t 65.97 76.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 10.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.501 HG22 ' CB ' ' A' ' 1' ' ' ALA . 5.1 t -98.92 163.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 10.0 109.218 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.495 ' N ' ' CG1' ' A' ' 4' ' ' VAL . 5.3 m -143.57 93.48 2.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 10.0 110.367 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.666 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 24.3 m-85 -68.95 161.29 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 10.0 111.006 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' ASN . 11.4 mt-10 -139.91 41.66 1.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 10.0 110.37 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 7' ' ' GLU . 9.4 p30 -47.38 173.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 10.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -90.76 18.05 6.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 10.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.79 51.16 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 10.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.02 -132.32 10.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 10.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -175.16 146.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 10.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CE1' ' A' ' 15' ' ' PHE . 4.3 p -131.9 91.28 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 10.0 109.388 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -68.15 130.29 42.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 10.0 110.398 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.666 ' CE1' ' CD1' ' A' ' 6' ' ' TYR . 5.5 m-85 -97.89 165.62 11.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 10.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.608 ' CB ' ' CG ' ' A' ' 20' ' ' HIS . 30.9 m-20 -140.17 121.97 15.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 10.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.581 ' CE1' ' C4B' ' A' ' 98' ' ' HEC . 6.0 t-80 -128.93 -63.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 10.0 109.609 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -38.05 89.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 10.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.79 -44.92 19.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 10.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.608 ' CG ' ' CB ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -63.88 -46.06 86.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 10.0 109.608 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 17' ' ' HIS . . . -42.94 -57.23 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 10.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -45.2 -25.56 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 10.0 110.25 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' HIS . 5.6 tttt -106.77 -76.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 10.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.604 HD23 ' C3C' ' A' ' 128' ' ' HEC . 9.1 mp -34.69 -86.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 10.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 124.36 31.68 0.89 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.458 1.098 . . . . 10.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.481 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 65.1 -75.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.355 -0.98 . . . . 10.0 108.355 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' GLY . 5.2 m-20 -34.56 -40.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 10.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.531 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -39.97 -38.74 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 10.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.366 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 1.8 m -111.35 -60.02 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 10.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.531 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 14.5 m-70 -84.57 -159.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 10.0 109.679 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 30' ' ' HIS . 1.2 tt0 172.52 118.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 10.0 110.27 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.03 -58.52 5.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 10.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.1 m -148.81 108.34 3.5 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 10.0 110.424 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.531 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.3 Cg_endo -74.97 160.4 40.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 10.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -178.08 162.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 10.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.62 125.07 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 10.0 109.32 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.3 mt -95.76 -10.65 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 73.07 100.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 10.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.447 ' CG2' HAD1 ' A' ' 158' ' ' HEC . 20.1 mm -116.19 129.63 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 10.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -160.08 -75.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 10.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.85 76.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 10.0 109.351 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 173.76 -68.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 10.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -67.65 -43.91 79.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 10.0 109.957 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.3 -17.16 17.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 10.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -98.6 -2.12 39.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 10.0 109.639 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -104.2 -161.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 10.0 109.356 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 48' ' ' ALA . 9.8 t70 -41.53 -28.84 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 10.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -39.57 -70.29 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 10.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.406 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 0.1 OUTLIER -102.74 -64.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 10.0 108.315 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -54.64 90.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 10.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER 176.54 -59.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 10.0 110.422 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 1.425 ' SG ' ' CAC' ' A' ' 128' ' ' HEC . 0.3 OUTLIER -88.83 -52.5 5.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 10.0 108.294 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.578 ' CE1' ' C1B' ' A' ' 128' ' ' HEC . 0.0 OUTLIER -44.59 -40.82 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 10.0 109.642 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -78.13 80.76 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 10.0 109.229 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.05 -46.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 110.0 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -104.99 -87.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 10.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -53.47 -33.49 54.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 10.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' HD3' ' A' ' 59' ' ' PRO . . . 59.65 62.89 5.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.466 1.104 . . . . 10.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.0 1.26 7.94 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.787 . . . . 10.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' PRO . 3.3 m -37.2 -69.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 10.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.63 136.96 54.6 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 10.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.4 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 0.6 OUTLIER -41.69 153.99 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 10.0 108.256 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.63 -24.69 26.72 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 10.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.2 -44.25 89.0 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.408 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 59.7 m -113.75 -63.23 1.48 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.277 -1.008 . . . . 10.0 108.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.632 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 36.3 m-70 -77.12 100.81 5.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 10.0 109.577 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 8.9 mt -89.06 66.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 10.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.17 . . . . 10.0 109.295 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.366 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.425 ' CAC' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.408 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.476 ' HA ' ' CB ' ' A' ' 18' ' ' LYS . 9.9 t0 69.22 -55.86 0.56 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.545 1.153 . . . . 10.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 1' ' ' ALA . 7.7 p -135.46 123.16 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.8 t -106.81 79.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 10.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -75.96 117.67 17.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 10.0 110.373 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.477 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 10.2 m-85 -111.94 104.22 12.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 10.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -60.35 117.4 5.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 10.0 110.364 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -98.6 -176.06 3.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 10.0 109.234 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -58.92 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 10.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -114.39 64.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.74 -170.19 31.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 10.0 111.054 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -161.31 106.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 10.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 6' ' ' TYR . 8.3 p -85.3 123.07 39.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 10.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.5 m -103.25 58.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 10.0 110.437 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.704 ' CE1' ' CBB' ' A' ' 128' ' ' HEC . 0.9 OUTLIER -45.48 164.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 10.0 111.017 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.427 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 45.5 m-20 -138.79 133.99 32.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 10.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.43 -42.61 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 10.0 109.61 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' CB ' ' HA ' ' A' ' 2' ' ' ASP . 26.1 tttm -99.33 -28.48 13.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 10.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.47 -31.4 65.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 10.0 109.263 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.465 ' CE1' ' C4D' ' A' ' 128' ' ' HEC . 0.1 OUTLIER -87.38 -53.07 5.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 10.0 109.649 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -38.39 -31.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 10.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' HIS . 2.4 mt-10 -53.21 -55.08 27.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 10.0 110.33 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' HIS . 6.9 mmtp -86.86 -54.9 4.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 10.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.595 HD22 ' C3C' ' A' ' 128' ' ' HEC . 7.2 mp -48.97 -82.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 118.89 21.55 3.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 10.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 m 69.41 -67.2 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.308 -0.997 . . . . 10.0 108.308 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' GLY . 4.9 m-20 -44.85 -29.53 0.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 10.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.401 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -53.14 -36.5 60.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 10.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.383 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 57.1 m -110.43 -56.37 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 10.0 108.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.496 ' CE1' HD11 ' A' ' 37' ' ' ILE . 40.9 m-70 -84.21 -176.72 6.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 10.0 109.675 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.2 101.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 10.0 110.294 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.04 87.93 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 10.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.4 m 71.69 104.27 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.493 0.761 . . . . 10.0 110.42 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.505 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.93 165.5 31.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 10.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -166.31 -174.08 2.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 10.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 1.4 pttt -83.3 105.47 14.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 10.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.496 HD11 ' CE1' ' A' ' 30' ' ' HIS . 46.2 mt -75.99 166.81 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 10.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.429 ' O ' ' HB ' ' A' ' 39' ' ' ILE . . . -60.05 -118.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 10.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.484 ' CD1' HBB3 ' A' ' 128' ' ' HEC . 0.9 OUTLIER 69.06 136.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 10.0 109.364 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER 162.22 -51.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 10.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' A' ' 43' ' ' SER . 15.5 mttt -135.06 -131.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 10.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -39.55 -30.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 10.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 5.3 m -55.63 -61.76 2.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.494 1.121 . . . . 10.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.461 ' HB2' ' CMD' ' A' ' 158' ' ' HEC . . . -58.48 -15.52 11.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 10.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -95.96 -3.85 44.37 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 10.0 109.598 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.7 -164.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 10.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.9 OUTLIER -46.61 -25.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 10.0 109.34 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -39.96 -56.19 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 10.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.413 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 4.4 t -108.56 -70.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 10.0 108.375 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -46.13 97.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 10.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.6 OUTLIER -178.14 -44.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 10.0 110.385 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.6 t -121.26 59.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 10.0 108.281 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -146.3 -45.48 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 10.0 109.623 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.33 77.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 10.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -164.86 -55.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 10.0 110.03 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -117.18 -60.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 10.0 109.233 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.64 -66.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 10.0 109.378 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 54.07 100.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.516 1.135 . . . . 10.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 61' ' ' LYS . 18.2 Cg_endo -75.06 -93.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 10.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.5 m 69.09 -57.63 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 10.0 110.473 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 59' ' ' PRO . 7.8 mttt -74.85 -0.32 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 10.0 109.229 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.676 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 0.1 OUTLIER 82.83 -53.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 10.0 108.255 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 64' ' ' GLY . . . -40.68 -26.64 0.14 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 10.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 62' ' ' CYS . . . -35.35 -65.81 0.41 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.018 -0.833 . . . . 10.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.1 p -117.84 -53.86 2.37 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.248 -1.019 . . . . 10.0 108.248 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.573 ' CE1' ' C1D' ' A' ' 158' ' ' HEC . 0.2 OUTLIER -63.62 114.45 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 10.0 109.619 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.443 ' O ' ' CG2' ' A' ' 67' ' ' ILE . 13.7 tt -55.34 102.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 10.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 10.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.383 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.413 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.676 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.481 ' CB ' HG22 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 0.1 OUTLIER 54.64 38.61 30.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 10.0 109.253 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 42.0 t 66.49 110.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 10.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.481 HG22 ' CB ' ' A' ' 1' ' ' ALA . 46.6 t -131.47 159.69 42.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 10.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.5 m -131.65 117.88 19.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 10.0 110.429 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -106.62 98.73 8.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 10.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.23 111.93 13.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 10.0 110.243 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -110.8 175.31 5.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 10.0 109.251 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -79.08 -44.87 21.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 10.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -91.59 52.07 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 10.0 109.225 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.99 -138.48 14.48 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 10.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 176.64 135.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 10.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' CG2' ' CMB' ' A' ' 128' ' ' HEC . 8.3 p -107.67 120.21 58.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 109.305 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.5 m -105.39 107.37 18.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 10.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.466 ' CD1' ' N ' ' A' ' 15' ' ' PHE . 3.5 m-30 -67.52 154.58 41.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 10.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.6 ' HB2' ' CD2' ' A' ' 20' ' ' HIS . 1.2 m-20 -131.26 113.66 14.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 10.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.679 ' CE1' ' C4B' ' A' ' 98' ' ' HEC . 4.8 t-80 -117.83 -63.04 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 10.0 109.564 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.8 OUTLIER -67.3 -46.81 72.46 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 10.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.36 -39.2 82.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.6 ' CD2' ' HB2' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -76.18 -62.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 10.0 109.631 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -36.68 -35.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.402 1.064 . . . . 10.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.5 mm-40 -43.35 -54.36 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 10.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -111.74 -51.27 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 10.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.511 HD11 ' CHD' ' A' ' 128' ' ' HEC . 0.4 OUTLIER -45.69 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 10.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' C ' ' HAB' ' A' ' 98' ' ' HEC . . . 137.39 -169.41 24.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.577 1.173 . . . . 10.0 110.942 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.377 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 1.8 m -89.63 -64.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.274 -1.01 . . . . 10.0 108.274 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.32 -28.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.465 ' N ' ' C ' ' A' ' 26' ' ' CYS . . . -40.12 -59.21 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 10.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.385 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.8 OUTLIER -103.24 -42.09 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 10.0 108.311 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -93.14 -153.47 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 10.0 109.617 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -154.03 -131.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 10.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.24 -11.86 68.16 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.542 1.151 . . . . 10.0 111.022 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 m -148.97 106.11 3.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 10.0 110.412 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.53 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.97 165.81 30.55 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.481 1.779 . . . . 10.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 175.04 166.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 10.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.415 ' CG ' ' H ' ' A' ' 38' ' ' ALA . 2.2 ttmt -59.85 127.52 32.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 10.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 38' ' ' ALA . 20.0 mt -96.36 32.57 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 10.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 37' ' ' ILE . . . 28.9 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 10.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.5 mm -85.05 116.64 28.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 10.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' ALA . 2.0 m-20 178.25 170.01 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 10.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' SER . 6.5 mtpp -39.14 151.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 10.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 41' ' ' LYS . 16.4 mttt 68.1 -69.01 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 10.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -53.2 -70.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 10.0 109.882 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.483 ' HB2' ' CMD' ' A' ' 158' ' ' HEC . . . -56.73 -18.19 11.67 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 10.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -92.2 2.36 56.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 10.0 109.587 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 48' ' ' ALA . 2.7 mttp -111.55 -162.9 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 10.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 48' ' ' ALA . 5.5 m-20 -39.54 -29.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 10.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' LYS . . . -37.0 -63.1 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 10.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.381 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 0.1 OUTLIER -101.99 -77.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 10.0 108.273 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB2' ' CD ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -39.31 98.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 10.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' CYS . 1.6 t -176.11 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 10.0 110.435 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 53' ' ' HIS . 1.5 t -105.9 -66.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 10.0 108.367 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' CYS . 8.0 m170 -37.65 -49.15 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 10.0 109.586 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' CD ' ' HB2' ' A' ' 50' ' ' LYS . 2.2 mtpm? -77.53 64.92 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 10.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -177.08 -48.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 10.0 109.97 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' ASN . 4.9 t30 -102.39 -62.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 10.0 109.343 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 56' ' ' ASN . 1.3 m-20 -43.17 164.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 10.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.422 ' N ' ' CD ' ' A' ' 59' ' ' PRO . . . -75.32 -55.72 5.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.094 . . . . 10.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.442 ' HB2' ' N ' ' A' ' 64' ' ' GLY . 18.4 Cg_endo -74.99 174.32 12.98 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.489 1.783 . . . . 10.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.36 -45.71 0.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 10.0 110.398 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLY . 1.6 ptpt -118.18 132.36 56.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 10.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.376 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 80.6 m 66.6 -77.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 10.0 108.275 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -50.26 -20.87 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 10.0 111.069 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.442 ' N ' ' HB2' ' A' ' 59' ' ' PRO . . . -63.54 -93.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.027 -0.829 . . . . 10.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.6 m -66.91 -59.64 3.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.316 -0.994 . . . . 10.0 108.316 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -63.14 146.26 53.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 10.0 109.591 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 92.6 mt -137.96 74.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 10.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 10.0 109.254 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.385 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.381 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.376 ' CAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 163.61 -61.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 10.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.2 p -155.67 69.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 10.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 t -59.12 171.33 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 10.0 109.285 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.46 ' O ' ' CD2' ' A' ' 6' ' ' TYR . 1.6 m -151.19 166.12 31.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 10.0 110.393 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.727 ' CD2' ' CE2' ' A' ' 15' ' ' PHE . 16.4 m-85 -158.59 73.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 10.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -69.13 145.34 53.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 10.0 110.318 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 1.7 p30 -133.24 177.13 7.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 10.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -60.66 3.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.6 1.187 . . . . 10.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -46.01 -75.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 10.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -124.46 -122.02 2.63 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.443 1.09 . . . . 10.0 111.04 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t30 176.25 119.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.404 0.708 . . . . 10.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.6 ' CG2' ' CMB' ' A' ' 128' ' ' HEC . 14.6 p -90.67 169.11 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 10.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 45.9 m -150.47 113.47 4.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 10.0 110.365 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.727 ' CE2' ' CD2' ' A' ' 6' ' ' TYR . 10.0 m-30 -87.02 154.99 20.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 10.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.535 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 36.3 m-20 -127.34 126.94 43.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 10.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.446 ' CE1' ' NB ' ' A' ' 98' ' ' HEC . 0.2 OUTLIER -108.61 -55.25 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 10.0 109.615 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -94.03 -12.0 29.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 10.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.29 -27.66 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 10.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.552 ' CE1' ' CHA' ' A' ' 128' ' ' HEC . 0.1 OUTLIER -95.84 -43.26 7.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 10.0 109.616 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.12 -18.75 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 10.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.3 mm-40 -56.07 -45.9 79.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 10.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.13 -43.5 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 10.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.513 ' CD1' ' CHD' ' A' ' 128' ' ' HEC . 0.4 OUTLIER -65.81 -98.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 10.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.456 ' O ' ' CMC' ' A' ' 98' ' ' HEC . . . 140.99 -169.27 25.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 10.0 111.006 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.395 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 1.4 m -89.94 -56.23 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -56.37 -18.3 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 10.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.53 -60.75 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 10.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.375 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 1.8 m -98.29 -36.68 9.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 10.0 108.331 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.477 ' CE1' HD13 ' A' ' 37' ' ' ILE . 45.9 m-70 -93.23 -177.49 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 10.0 109.571 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -179.18 110.89 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 10.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 33' ' ' THR . . . 63.35 87.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 10.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 32' ' ' GLY . 24.0 m 71.75 104.97 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 10.0 110.345 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.486 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.1 Cg_endo -75.11 160.78 39.4 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 10.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -162.81 -173.14 3.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 10.0 109.337 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.94 115.58 15.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 10.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.522 ' HB ' ' C3D' ' A' ' 98' ' ' HEC . 42.8 mt -79.8 149.82 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 10.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.596 ' O ' ' HB ' ' A' ' 39' ' ' ILE . . . -60.13 -122.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 10.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.596 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 1.0 OUTLIER 90.54 149.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 10.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.7 OUTLIER 154.83 173.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 10.0 109.351 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HB2' ' CAA' ' A' ' 158' ' ' HEC . 2.8 tttt -65.54 63.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 10.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' ASP . 2.0 tttt 174.05 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 10.0 109.268 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 5.9 t -107.0 -37.29 6.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 10.0 109.997 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.478 ' HB1' ' CMD' ' A' ' 158' ' ' HEC . . . -56.91 -18.01 11.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 10.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.513 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 18.4 m170 -99.25 -0.5 41.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 10.0 109.559 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.53 -154.87 0.52 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 10.0 109.258 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.14 -24.97 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 10.0 109.359 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -40.29 -71.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.162 . . . . 10.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.46 ' HB3' ' CBC' ' A' ' 158' ' ' HEC . 1.0 OUTLIER -107.55 -52.14 2.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 10.0 108.278 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 51' ' ' THR . 3.1 mtpp -61.27 96.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER 167.9 -72.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 10.0 110.385 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.405 ' N ' ' CG2' ' A' ' 51' ' ' THR . 1.7 t -63.69 -43.72 95.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 10.0 108.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.526 ' CD2' ' NC ' ' A' ' 128' ' ' HEC . 1.2 m-70 -59.05 -33.67 71.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 10.0 109.581 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -73.82 67.68 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 10.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.7 -73.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 10.0 110.003 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -77.47 -84.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.404 1.065 . . . . 10.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -99.67 -67.13 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 10.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 57.69 158.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 10.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.437 ' HB3' ' N ' ' A' ' 65' ' ' CYS . 18.1 Cg_endo -75.04 -166.86 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.528 1.804 . . . . 10.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 178.29 -44.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 10.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.585 ' O ' ' N ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER -124.39 68.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 10.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.396 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 85.4 m 52.22 -85.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 10.0 108.306 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -23.76 -46.49 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.509 1.131 . . . . 10.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -35.6 -47.53 0.89 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.042 -0.823 . . . . 10.0 111.042 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.394 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 0.0 OUTLIER -103.71 -69.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.304 -0.999 . . . . 10.0 108.304 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 63' ' ' GLY . 18.6 m-70 -61.03 153.85 24.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 10.0 109.602 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.2 mt -84.07 91.74 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.436 1.085 . . . . 10.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 tptp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 10.0 109.286 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.395 ' CAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 0.6 ' CMB' ' CG2' ' A' ' 13' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.396 ' CAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.417 ' HB2' ' ND1' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 3' ' ' VAL . 1.0 OUTLIER 59.64 45.46 13.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 10.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.47 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 3.0 t 83.89 111.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 10.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.2 t -104.72 149.58 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 10.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 m -117.62 119.42 34.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 10.0 110.374 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -103.43 156.44 17.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 10.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -135.5 143.45 45.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 10.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -153.25 -178.13 6.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 109.244 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -93.44 32.34 1.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 10.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -165.46 60.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 10.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.06 -148.52 21.55 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 10.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -166.23 151.12 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 10.0 109.381 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.6 p -124.82 96.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 10.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -77.25 85.33 3.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -47.44 162.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 10.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.55 ' CB ' ' ND1' ' A' ' 20' ' ' HIS . 1.1 m-20 -124.91 130.41 52.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 10.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.417 ' ND1' ' HB2' ' A' ' 1' ' ' ALA . 0.4 OUTLIER -118.05 -54.71 2.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 10.0 109.586 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -86.64 -40.16 15.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 10.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.91 -31.08 72.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 10.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.55 ' ND1' ' CB ' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -87.9 -53.07 4.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 10.0 109.619 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -38.34 -30.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 10.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' HIS . 1.7 mt-10 -54.29 -50.74 66.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 10.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' HIS . 6.6 mmtm -95.18 -56.58 2.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 10.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.581 HD23 ' C3C' ' A' ' 128' ' ' HEC . 7.5 mp -45.38 -91.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 121.38 34.14 0.9 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.562 1.164 . . . . 10.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER 65.04 -75.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.279 -1.008 . . . . 10.0 108.279 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 25' ' ' GLY . 30.4 m-20 -38.12 -40.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 10.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -39.57 -30.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 10.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.299 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.2 OUTLIER -118.81 -65.42 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 10.0 108.331 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -68.37 -174.37 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 10.0 109.584 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.32 107.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 10.0 110.262 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.16 101.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 10.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.0 m 57.41 103.47 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.375 0.691 . . . . 10.0 110.466 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 -160.03 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 10.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 34' ' ' PRO . . . 166.16 -46.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 10.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.29 178.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 10.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.502 HD11 ' C2D' ' A' ' 98' ' ' HEC . 3.7 mt -138.59 155.14 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 10.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.409 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -92.5 80.87 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 10.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.8 mm -101.79 127.47 55.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.164 . . . . 10.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER 175.52 162.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 10.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 10.8 mttm -39.48 141.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 10.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 3.6 tttp 87.85 -61.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 10.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -70.95 -63.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 10.0 109.93 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.27 -15.16 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 10.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.432 ' CD2' ' NC ' ' A' ' 158' ' ' HEC . 13.3 m170 -92.78 -41.39 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 10.0 109.601 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 43' ' ' SER . 19.3 mttt -151.45 161.42 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 10.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 t70 60.95 15.19 5.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 10.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -150.51 -45.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.63 1.206 . . . . 10.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.382 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 6.0 m -111.1 -68.29 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 10.0 108.223 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.419 ' NZ ' ' O ' ' A' ' 60' ' ' THR . 0.0 OUTLIER -61.38 84.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 10.0 109.252 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' CYS . 14.7 t -171.58 -41.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 10.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.7 t -102.37 -13.22 17.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 10.0 108.364 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -96.06 17.43 15.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.604 1.19 . . . . 10.0 109.597 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -99.26 55.27 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 10.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.0 t -175.69 -55.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.498 1.124 . . . . 10.0 109.925 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -58.14 -169.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 10.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -129.74 127.41 40.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 10.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.43 -111.75 0.44 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 10.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 61' ' ' LYS . 18.3 Cg_endo -75.02 -90.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.505 1.792 . . . . 10.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.419 ' O ' ' NZ ' ' A' ' 50' ' ' LYS . 50.9 m 68.9 -58.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 10.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -93.2 164.59 13.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 10.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 61' ' ' LYS . 1.8 t -49.53 175.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 10.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.1 35.61 4.83 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.495 1.122 . . . . 10.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.98 -73.77 0.64 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.0 -0.84 . . . . 10.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.425 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 3.8 m -62.05 -43.33 99.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.237 -1.023 . . . . 10.0 108.237 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.559 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 52.2 m-70 -69.81 106.11 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 109.62 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.0 mm -79.81 78.35 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 10.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 10.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.299 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.382 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.425 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.473 ' HB1' ' CG ' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.37 -48.07 0.58 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 10.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.459 ' CG2' ' O ' ' A' ' 15' ' ' PHE . 13.6 p -174.28 114.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.3 t -82.3 132.5 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 10.0 109.231 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.6 m -104.88 139.77 39.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 10.0 110.429 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -130.37 99.47 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 110.954 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.77 135.97 45.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 10.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -150.98 173.95 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 10.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -86.8 -68.84 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 10.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -46.84 -58.43 3.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.509 1.131 . . . . 10.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.22 149.29 13.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 10.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -93.16 151.81 19.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 10.0 109.345 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.522 HG13 ' C2D' ' A' ' 158' ' ' HEC . 1.7 p -129.3 78.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 10.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.9 m -68.98 114.88 7.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 10.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.459 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 91.1 m-85 -66.13 -170.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 10.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.516 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -150.13 111.46 4.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 10.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.608 ' CE1' ' NB ' ' A' ' 98' ' ' HEC . 0.1 OUTLIER -98.19 -56.9 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 10.0 109.574 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.76 -17.75 26.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.5 -23.24 46.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 10.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.516 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -101.79 -51.84 3.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 10.0 109.559 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -47.52 -41.25 20.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 10.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' ALA . 8.3 pt-20 -37.55 -31.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 10.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . 8.9 mmtp -127.31 -47.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 10.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.55 HD22 ' CAC' ' A' ' 128' ' ' HEC . 0.3 OUTLIER -59.7 -100.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 10.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.54 173.19 14.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.474 1.108 . . . . 10.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.386 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -81.26 -28.58 34.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -84.95 -3.33 58.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 10.0 109.329 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.91 -15.59 26.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 10.0 109.326 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.434 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 64.1 m -127.95 -48.24 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 10.0 108.279 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' CYS . 57.0 m-70 -107.48 -164.28 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 10.0 109.588 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 2.3 mt-10 166.66 142.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 10.0 110.342 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.17 -60.84 1.43 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 10.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -149.15 111.32 3.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 10.0 110.43 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.58 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.4 Cg_endo -75.01 114.7 4.09 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 10.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.64 160.82 37.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 10.0 109.342 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -46.48 103.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 10.0 109.346 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.461 ' CG2' ' N ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -61.0 171.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 10.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' N ' ' CG2' ' A' ' 37' ' ' ILE . . . -60.21 -117.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 10.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.402 ' C ' ' CG ' ' A' ' 40' ' ' ASP . 4.8 mm 65.8 104.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 10.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' CG ' ' C ' ' A' ' 39' ' ' ILE . 0.0 OUTLIER 167.27 114.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 10.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' SER . 0.7 OUTLIER 66.86 -136.91 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 10.0 109.354 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -68.31 69.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 10.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -151.59 -61.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 10.0 110.001 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.7 -15.17 17.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 10.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.416 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 21.1 m170 -96.84 -1.02 46.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 10.0 109.604 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.2 -160.05 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 10.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -52.02 -21.83 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 10.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -40.01 -54.57 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 10.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 m -105.06 -80.72 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 10.0 108.284 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 51' ' ' THR . 1.2 ptmt -41.7 105.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 10.0 109.354 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.422 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER 171.74 -53.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 10.0 110.46 -179.894 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 1.468 ' SG ' ' CAC' ' A' ' 128' ' ' HEC . 48.0 t -104.55 40.94 1.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 10.0 108.325 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -133.13 -45.73 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 10.0 109.549 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -43.16 -33.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 10.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.9 t -48.96 -68.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 10.0 110.063 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -98.6 -67.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 10.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -162.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 10.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.44 65.7 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 10.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.37 3.93 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.503 1.791 . . . . 10.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -67.73 -68.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 10.0 110.463 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -72.45 151.42 42.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 10.0 109.243 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.385 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 57.2 m -48.75 153.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 108.291 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.56 -38.45 3.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.466 1.104 . . . . 10.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.18 -80.93 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.43 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 14.6 p -92.66 -49.86 5.88 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.298 -1.001 . . . . 10.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.407 ' CE1' ' C1B' ' A' ' 158' ' ' HEC . 0.1 OUTLIER -47.66 150.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 10.0 109.578 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.5 mm -121.37 89.19 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 10.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 10.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.434 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.468 ' CAC' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.43 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.486 ' CB ' HG22 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.521 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 0.2 OUTLIER 38.74 34.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.407 1.067 . . . . 10.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.523 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 1.0 OUTLIER 73.32 99.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 109.359 -179.917 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.559 HG13 ' CE1' ' A' ' 6' ' ' TYR . 3.9 t -124.91 156.31 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 10.0 109.361 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -132.3 97.16 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 10.0 110.431 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.559 ' CE1' HG13 ' A' ' 4' ' ' VAL . 20.0 m-85 -87.15 102.03 14.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 10.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.67 51.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 10.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -47.48 172.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 10.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -41.35 12.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -93.81 52.18 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 10.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.01 -141.69 17.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.551 1.157 . . . . 10.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 175.77 132.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 0.81 . . . . 10.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.45 ' CG2' HMB2 ' A' ' 128' ' ' HEC . 7.4 p -118.68 109.6 27.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 10.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -105.79 123.17 47.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 10.0 110.427 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.451 ' CE1' HBB2 ' A' ' 128' ' ' HEC . 15.8 m-30 -86.92 -174.14 4.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 10.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.602 ' OD1' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -154.51 40.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.572 ' CE1' ' CHC' ' A' ' 98' ' ' HEC . 6.6 t-80 -34.5 -51.71 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 10.0 109.54 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -59.52 -78.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 10.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.97 -46.29 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 10.0 109.354 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.602 ' CE1' ' OD1' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -59.5 -58.91 6.53 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 10.0 109.626 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -35.7 -34.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 20' ' ' HIS . 2.1 mt-10 -62.49 -57.18 12.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 10.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 20' ' ' HIS . 10.1 mmtt -78.82 -50.33 11.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 10.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.648 HD21 ' C3C' ' A' ' 128' ' ' HEC . 8.4 mp -57.78 -111.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 10.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 139.57 40.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.141 . . . . 10.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.519 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 61.98 -78.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.274 -1.009 . . . . 10.0 108.274 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER -31.23 -40.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 10.0 109.241 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HB2' ' CBC' ' A' ' 128' ' ' HEC . . . -40.15 -58.08 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 10.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.351 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -94.65 -47.38 6.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 10.0 108.26 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.513 ' CE1' HD11 ' A' ' 37' ' ' ILE . 72.9 m-70 -78.44 -154.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 10.0 109.554 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -178.75 98.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 10.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.41 94.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.526 1.141 . . . . 10.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.0 m 68.43 104.65 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 10.0 110.358 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HG3' ' CMB' ' A' ' 98' ' ' HEC . 18.2 Cg_endo -75.04 -163.64 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.802 . . . . 10.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 177.07 -52.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 10.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.72 -175.96 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.522 HD11 ' C1D' ' A' ' 98' ' ' HEC . 34.3 mt -153.33 145.88 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 10.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.42 ' N ' HG23 ' A' ' 37' ' ' ILE . . . -89.15 95.36 10.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 10.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.1 mm -113.92 104.85 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 10.0 109.257 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.6 OUTLIER -165.77 169.03 15.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.9 65.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 10.0 109.332 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' ASP . 4.0 tttm -175.51 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 10.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.2 -39.25 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 10.0 110.009 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.69 -17.2 13.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 10.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -95.11 -1.43 52.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 10.0 109.615 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.457 ' C ' ' N ' ' A' ' 48' ' ' ALA . 2.5 mttt -107.0 -163.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.7 OUTLIER -42.08 -27.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.457 ' N ' ' C ' ' A' ' 46' ' ' LYS . . . -37.2 -61.65 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 10.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -101.84 -76.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.62 1.2 . . . . 10.0 108.254 -179.953 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -47.62 95.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 10.0 109.262 -179.928 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -172.6 -55.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 10.0 110.423 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.08 -55.8 4.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 10.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -50.96 -25.52 4.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 109.59 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -53.14 -68.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.347 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.52 56.63 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 10.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 177.67 -176.97 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 10.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -61.82 100.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 10.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.01 113.95 0.36 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.575 1.172 . . . . 10.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.419 ' O ' ' HA3' ' A' ' 64' ' ' GLY . 18.4 Cg_endo -75.01 78.32 2.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.435 1.755 . . . . 10.0 111.069 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.7 t -73.08 53.94 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 10.0 110.353 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -115.07 -32.52 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 10.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.392 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 30.5 t 177.0 -54.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 10.0 108.272 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.67 39.43 2.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.559 1.162 . . . . 10.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 65' ' ' CYS . . . -91.56 46.96 2.78 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.987 -0.845 . . . . 10.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 64' ' ' GLY . 1.6 p 160.24 -50.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.325 -0.991 . . . . 10.0 108.325 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -60.65 115.23 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 109.585 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mt -85.11 101.71 9.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 10.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.1 tttp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 10.0 109.29 -179.982 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.351 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 0.648 ' C3C' HD21 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.392 ' CAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.556 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 2.3 m-20 152.34 61.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 10.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.474 ' O ' ' CG2' ' A' ' 4' ' ' VAL . 2.7 t 60.19 168.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 10.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 3' ' ' VAL . 29.6 t -158.64 71.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 10.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 6' ' ' TYR . 19.5 m -40.2 147.84 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 10.0 110.409 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.44 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 0.2 OUTLIER -143.48 84.95 1.82 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.545 1.153 . . . . 10.0 110.912 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -54.07 139.76 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.393 1.058 . . . . 10.0 110.333 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 6' ' ' TYR . 7.8 m-80 -135.03 -177.49 4.66 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.14 . . . . 10.0 109.368 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -100.61 -27.13 13.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 10.0 109.327 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.6 68.41 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 10.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.07 122.97 0.45 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.582 1.176 . . . . 10.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -70.32 153.27 43.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 0.773 . . . . 10.0 109.329 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.463 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 2.5 p -122.09 47.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 10.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -43.44 94.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 10.0 110.358 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 13' ' ' VAL . 52.0 m-85 -56.36 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 10.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.559 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 16.5 m-20 -145.81 127.73 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 10.0 109.332 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.546 ' CD2' ' NC ' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -108.17 -59.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 10.0 109.551 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 30.5 tttt -68.51 -52.03 36.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 10.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.31 -40.7 71.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 10.0 109.254 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 15.2 m170 -72.62 -65.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 10.0 109.536 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -39.18 -44.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 10.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.6 mm-40 -38.67 -57.0 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.132 . . . . 10.0 110.251 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -89.5 -42.17 11.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 10.0 109.224 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.554 HD23 ' CBC' ' A' ' 128' ' ' HEC . 7.3 mp -65.78 -109.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 109.236 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 137.24 39.35 0.13 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.482 1.114 . . . . 10.0 111.017 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 67.84 -68.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.305 -0.998 . . . . 10.0 108.305 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' GLY . 7.5 m-20 -42.69 -46.56 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 10.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.507 ' O ' ' CBC' ' A' ' 128' ' ' HEC . . . -45.1 -26.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 10.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.537 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 75.0 m -115.85 -66.18 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 10.0 108.34 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 26' ' ' CYS . 20.8 m-70 -80.18 -165.59 0.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 10.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.66 88.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.25 80.66 1.22 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 10.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 m 72.68 104.83 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.426 0.721 . . . . 10.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.447 ' HG3' ' CMB' ' A' ' 98' ' ' HEC . 18.0 Cg_endo -75.04 -178.65 4.32 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.798 . . . . 10.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 172.88 161.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 10.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -56.3 108.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 10.0 109.254 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.0 mt -75.17 148.09 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 10.0 109.34 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.98 77.75 5.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.13 . . . . 10.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.2 mm -100.18 129.05 51.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 10.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.54 -52.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 10.0 109.319 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.501 ' HD2' ' C2A' ' A' ' 158' ' ' HEC . 0.0 OUTLIER 178.23 92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 10.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 8.0 mttt 169.45 -39.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 10.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -116.25 -48.62 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.96 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.527 ' CB ' ' CMD' ' A' ' 158' ' ' HEC . . . -53.91 -15.74 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 10.0 109.361 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.544 ' CD2' ' NC ' ' A' ' 158' ' ' HEC . 4.7 m170 -92.7 -43.11 9.24 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 10.0 109.651 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.502 ' O ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -149.73 168.94 22.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 10.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 45.22 35.88 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 10.0 109.325 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -168.59 -48.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 10.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.387 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 60.3 m -109.23 -74.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.14 . . . . 10.0 108.267 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -38.25 -57.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.177 . . . . 10.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 m -40.89 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 10.0 110.444 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 21.3 t -84.82 105.78 15.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 10.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.466 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.3 OUTLIER 163.51 -28.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.486 1.116 . . . . 10.0 109.61 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -68.74 62.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 10.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -174.81 -42.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.963 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.03 -57.91 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 10.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.64 -155.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.611 1.194 . . . . 10.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -174.22 79.45 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.575 1.172 . . . . 10.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.479 ' HB3' ' CBC' ' A' ' 158' ' ' HEC . 18.5 Cg_endo -74.87 144.15 30.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 10.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.509 ' O ' ' O ' ' A' ' 61' ' ' LYS . 12.7 m -150.57 52.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 10.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.509 ' O ' ' O ' ' A' ' 60' ' ' THR . 0.1 OUTLIER 44.15 99.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 10.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.353 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 6.7 m 82.09 -67.11 0.1 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.556 1.16 . . . . 10.0 108.33 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.48 -11.82 16.29 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.128 . . . . 10.0 110.987 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 59' ' ' PRO . . . -72.58 -65.85 2.22 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.988 -0.845 . . . . 10.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.392 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 2.8 p -141.37 62.54 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -163.73 96.72 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 10.0 109.568 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.484 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -51.34 179.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 10.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.484 ' N ' ' CG2' ' A' ' 67' ' ' ILE . 9.5 pttp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 10.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.537 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.387 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.392 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.552 ' O ' ' CB ' ' A' ' 3' ' ' VAL . 1.2 t0 68.46 28.9 5.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 10.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.552 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 89.16 147.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 10.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.423 ' CG1' ' O ' ' A' ' 4' ' ' VAL . 77.8 t -153.91 55.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 10.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -42.91 159.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 10.0 110.34 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.436 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 13.6 m-85 -136.95 109.34 7.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 10.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -62.55 139.86 58.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 10.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -149.67 -175.67 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 10.0 109.294 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.56 -2.86 14.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 10.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 72.66 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 10.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.4 98.53 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 10.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.24 121.69 10.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 10.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.436 ' CG1' ' HB2' ' A' ' 6' ' ' TYR . 13.7 p -82.92 88.88 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 10.0 109.352 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -75.72 84.08 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 10.0 110.347 -179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.577 ' CE2' HBB2 ' A' ' 128' ' ' HEC . 5.2 m-85 -50.75 -178.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 10.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.486 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 3.7 m-20 -157.29 129.41 7.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 10.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -116.15 -58.26 2.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 10.0 109.569 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -43.68 71.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 10.0 109.272 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.27 -29.68 68.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 10.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 2.2 m170 -79.5 -55.87 4.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 10.0 109.619 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.466 ' HB1' ' CBB' ' A' ' 98' ' ' HEC . . . -48.07 -30.94 4.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.68 -58.93 3.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -90.52 -31.63 16.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 10.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.608 HD13 ' C3C' ' A' ' 128' ' ' HEC . 0.1 OUTLIER -68.04 -105.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 10.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 129.5 34.65 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 10.0 111.029 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.547 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 66.57 -73.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.328 -0.989 . . . . 10.0 108.328 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER -43.17 -26.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 10.0 109.272 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.483 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . . . -61.83 -39.92 93.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 10.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.423 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 91.9 m -103.99 -52.76 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 10.0 108.339 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' CYS . 5.0 m-70 -95.05 -150.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 10.0 109.599 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -158.93 -144.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 10.0 110.279 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.452 ' N ' ' CG ' ' A' ' 31' ' ' GLU . . . -57.57 94.78 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.09 . . . . 10.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.0 m 69.95 105.33 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 10.0 110.375 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.499 1.789 . . . . 10.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.422 ' O ' ' CAA' ' A' ' 98' ' ' HEC . . . 178.49 -57.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.378 1.049 . . . . 10.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.39 163.66 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.55 ' CD1' ' C1D' ' A' ' 98' ' ' HEC . 6.9 mt -122.89 156.83 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 10.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.24 96.05 6.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 10.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.0 mm -126.77 146.12 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 10.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 13.1 t0 -164.74 -63.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 10.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER 178.5 38.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 10.0 109.306 -179.928 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.2 -68.35 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 10.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 1.2 t -51.64 -52.53 47.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 10.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.485 ' CB ' HMD3 ' A' ' 158' ' ' HEC . . . -55.48 -18.99 8.24 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 10.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -100.47 5.63 44.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 10.0 109.592 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 47' ' ' ASP . 5.5 mttt -119.4 -165.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 10.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 46' ' ' LYS . 4.7 m-20 -37.32 -34.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 10.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -38.11 -44.85 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.596 ' O ' ' C ' ' A' ' 50' ' ' LYS . 75.3 m -126.39 -106.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 10.0 108.32 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.596 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.2 OUTLIER 22.65 -95.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 10.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.523 ' C ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -28.96 -56.48 0.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 10.0 110.398 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 1.403 ' SG ' ' CAC' ' A' ' 128' ' ' HEC . 8.0 t -85.92 77.62 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 10.0 108.339 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.484 ' HB3' ' CG ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER 172.28 -36.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 10.0 109.551 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -71.98 66.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 10.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.93 -58.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 10.0 110.046 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.99 -75.06 0.64 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 10.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -43.0 -48.53 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 10.0 109.257 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 59' ' ' PRO . . . 69.85 61.62 4.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 10.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.484 ' CG ' ' HB3' ' A' ' 53' ' ' HIS . 18.3 Cg_endo -75.06 -155.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 10.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.475 ' HB ' ' O ' ' A' ' 59' ' ' PRO . 4.3 m 67.69 30.31 6.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 10.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.03 22.24 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 10.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.372 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 1.2 m 51.34 31.55 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 10.0 108.288 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -150.31 19.41 1.05 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 10.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.53 -68.61 0.95 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -68.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.24 -1.022 . . . . 10.0 108.24 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.437 ' CD2' ' C4B' ' A' ' 158' ' ' HEC . 75.7 m-70 -45.71 148.14 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 10.0 109.571 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 78.4 mt -110.21 101.25 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 10.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.138 . . . . 10.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.423 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.403 ' CAC' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.372 ' CAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.466 ' CB ' ' HG2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -54.13 -15.91 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 10.0 109.348 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 1' ' ' ALA . 4.1 p -178.19 77.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.391 1.057 . . . . 10.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.7 t -54.43 134.16 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 10.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.6 m -104.34 154.53 19.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 10.0 110.4 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 1.8 m-85 -148.55 81.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 10.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -73.4 125.45 27.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 10.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -128.89 171.33 12.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 10.0 109.352 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -62.46 -48.66 78.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 10.0 109.37 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 10.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.05 142.74 9.81 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.473 1.108 . . . . 10.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -62.34 126.25 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 10.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.429 ' CG2' ' CMB' ' A' ' 128' ' ' HEC . 7.7 p -114.38 54.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 10.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.95 134.63 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 10.0 110.458 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.531 ' CD2' HBB3 ' A' ' 128' ' ' HEC . 6.9 m-85 -87.75 -173.69 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 10.0 110.958 -179.913 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.513 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 1.3 m-20 -146.84 121.39 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 10.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.432 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -113.48 -63.05 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 10.0 109.569 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.466 ' HG2' ' CB ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -86.15 -20.37 28.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 10.0 109.355 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.96 -27.49 39.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 10.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.513 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -94.87 -49.54 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 10.0 109.58 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.466 ' CB ' HBB1 ' A' ' 98' ' ' HEC . . . -53.02 -51.68 60.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 10.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -39.04 -29.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 10.0 110.35 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.6 tttp -105.06 -64.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 10.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.498 ' CD2' ' HAC' ' A' ' 128' ' ' HEC . 4.9 mp -57.65 -92.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' CYS . . . 123.59 66.67 0.21 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 10.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER 39.61 -146.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.244 -1.021 . . . . 10.0 108.244 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 26' ' ' CYS . 66.0 m-20 35.24 31.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 10.0 109.374 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -117.81 -61.35 1.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 10.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.563 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -111.96 5.16 18.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 10.0 108.316 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -117.21 177.27 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 10.0 109.634 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -178.85 121.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.98 92.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.541 1.151 . . . . 10.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.9 m 71.29 105.19 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.444 0.732 . . . . 10.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.543 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.1 Cg_endo -74.98 126.68 10.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 10.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.45 -177.48 4.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 10.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.515 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -71.95 108.18 5.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 10.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 38' ' ' ALA . 38.8 mt -64.82 167.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 10.0 109.239 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' N ' ' CG2' ' A' ' 37' ' ' ILE . . . -94.28 90.36 6.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 10.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.413 ' CG2' HAD1 ' A' ' 158' ' ' HEC . 6.6 mm -119.7 140.96 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 10.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 10.7 t70 -165.22 -67.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 10.0 109.337 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' HB2' ' CAA' ' A' ' 158' ' ' HEC . 0.6 OUTLIER 177.52 82.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 10.0 109.327 179.923 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm 173.14 -58.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 109.284 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -81.57 -36.73 28.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 10.0 109.972 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.502 ' HA ' ' CB ' ' A' ' 48' ' ' ALA . . . -65.15 -6.09 8.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 10.0 109.24 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -98.2 -4.06 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 10.0 109.569 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -169.4 -65.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.401 1.063 . . . . 10.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' SER . 27.7 m-20 -70.98 55.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 10.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.502 ' CB ' ' HA ' ' A' ' 44' ' ' ALA . . . 173.11 -76.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 10.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.44 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 60.0 m -88.64 -129.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 10.0 108.313 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.559 ' O ' ' C ' ' A' ' 51' ' ' THR . 5.0 mmtp 28.78 -93.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 10.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.568 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -25.49 -50.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 10.0 110.363 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.476 ' N ' ' CG2' ' A' ' 51' ' ' THR . 9.0 t -96.23 85.01 3.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 10.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 175.23 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.614 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -66.66 72.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 10.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -157.03 -51.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 10.0 109.972 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -105.25 -60.52 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 10.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -86.49 -172.13 3.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 10.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -145.69 64.65 0.44 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 10.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.17 4.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 10.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 m -85.17 -49.78 7.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.087 . . . . 10.0 110.457 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -76.91 -156.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 10.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -107.4 43.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 10.0 108.278 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -126.65 -42.24 0.29 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.528 1.143 . . . . 10.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.13 -83.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.994 -0.842 . . . . 10.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.405 ' SG ' ' CMB' ' A' ' 128' ' ' HEC . 1.8 m -72.84 -64.95 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.325 -0.991 . . . . 10.0 108.325 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.5 ' CE1' ' C1B' ' A' ' 158' ' ' HEC . 10.9 m-70 -64.88 103.56 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 10.0 109.605 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.7 mm -88.46 79.35 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 10.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 10.0 109.275 -179.995 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.563 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.44 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 0.5 ' C1B' ' CE1' ' A' ' 66' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.542 ' N ' ' HB2' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.454 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 1.0 OUTLIER 43.95 34.14 0.88 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.15 . . . . 10.0 109.339 -179.928 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.433 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 17.8 t 66.4 81.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.507 HG13 ' CE1' ' A' ' 6' ' ' TYR . 10.0 t -105.8 164.54 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 10.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.505 ' N ' ' CG1' ' A' ' 4' ' ' VAL . 89.7 m -131.2 91.48 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 10.0 110.362 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.546 ' CD2' ' CZ ' ' A' ' 15' ' ' PHE . 4.2 m-30 -81.26 124.9 29.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 10.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -113.82 110.88 20.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 10.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -113.75 159.36 19.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 10.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -40.31 -50.48 2.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 10.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -79.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 10.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.38 -100.47 0.22 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 10.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -172.69 137.3 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 10.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.521 HG22 ' CHD' ' A' ' 158' ' ' HEC . 10.8 p -120.92 62.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -55.4 130.58 43.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 10.0 110.426 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.546 ' CZ ' ' CD2' ' A' ' 6' ' ' TYR . 8.8 m-85 -88.39 -173.57 4.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 10.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.592 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 1.2 m-20 -150.2 117.66 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 10.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.668 ' CE1' ' C4B' ' A' ' 98' ' ' HEC . 9.3 t-80 -124.08 -65.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 109.6 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -21.77 64.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 10.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.79 -32.92 13.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 10.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.592 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -77.24 -35.34 55.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 10.0 109.583 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 17' ' ' HIS . . . -58.96 -15.1 11.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 10.0 109.329 179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -79.55 -49.65 11.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 10.0 110.372 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -87.76 -53.74 4.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 10.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.58 HD23 ' CAC' ' A' ' 128' ' ' HEC . 6.6 mp -58.73 -114.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 10.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 145.87 38.01 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 10.0 110.961 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.547 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 65.48 -69.7 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.343 -0.984 . . . . 10.0 108.343 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 25' ' ' GLY . 2.4 m-20 -39.17 -28.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 10.0 109.251 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.522 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -62.61 -48.11 80.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 10.0 109.352 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.352 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 20.4 m -93.42 -50.72 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 10.0 108.254 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 26' ' ' CYS . 5.1 m-70 -95.26 179.34 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 10.0 109.644 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.14 94.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 10.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 33' ' ' THR . . . 84.72 82.83 1.02 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 10.0 111.042 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 32' ' ' GLY . 27.0 m 71.43 103.38 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 10.0 110.451 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.51 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.1 Cg_endo -75.02 159.89 40.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.43 1.753 . . . . 10.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' LYS . . . -173.38 157.75 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HE3' ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.2 143.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 10.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.414 HD11 ' CE1' ' A' ' 30' ' ' HIS . 65.5 mt -119.01 146.28 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 10.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.43 91.03 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 10.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.42 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 3.7 mm -97.75 137.79 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 10.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER 162.01 165.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 10.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' ASP . 19.2 ttpt -42.37 163.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 10.0 109.322 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER 79.87 -70.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 10.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.456 ' C ' ' HB3' ' A' ' 48' ' ' ALA . 26.3 m -67.78 -67.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 10.0 109.934 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.468 ' HA ' ' CB ' ' A' ' 48' ' ' ALA . . . -55.15 -15.99 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 10.0 109.251 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.422 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 1.6 m-70 -106.61 13.79 27.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 10.0 109.598 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 42' ' ' LYS . 26.2 tttm -131.41 -92.98 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 10.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 1.3 m-20 -122.89 65.97 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 10.0 109.206 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 44' ' ' ALA . . . -146.19 -45.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 10.0 109.216 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.39 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 0.1 OUTLIER -113.35 -69.34 0.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 10.0 108.306 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' CYS . 49.1 mttt -39.97 -57.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 10.0 109.252 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 50' ' ' LYS . 2.2 t -38.03 -56.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 10.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 51.4 t -95.33 104.03 15.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.617 1.198 . . . . 10.0 108.295 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER 161.49 -47.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 10.0 109.572 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -46.5 -30.83 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 10.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.49 64.9 4.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 10.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 57' ' ' ASN . 9.2 t30 167.39 -87.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 10.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.433 ' HB2' ' ND2' ' A' ' 56' ' ' ASN . 1.8 t-20 -110.0 -42.86 4.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 10.0 109.339 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.447 ' N ' ' HD3' ' A' ' 59' ' ' PRO . . . 61.72 61.82 6.38 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 10.0 111.014 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 58' ' ' GLY . 18.2 Cg_endo -75.0 54.91 3.78 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.804 . . . . 10.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.464 ' HA ' ' CMC' ' A' ' 158' ' ' HEC . 1.9 t -101.27 53.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 10.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 63' ' ' GLY . 1.2 pttt -141.89 32.91 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 10.0 109.206 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.378 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 1.1 m 68.54 -70.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 10.0 108.32 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -51.96 -20.21 6.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.555 1.16 . . . . 10.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.416 ' HA3' ' CB ' ' A' ' 59' ' ' PRO . . . -65.96 -64.04 3.64 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.4 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 39.8 m -91.25 -54.94 3.72 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.307 -0.997 . . . . 10.0 108.307 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 62' ' ' CYS . 55.6 m-70 -86.97 100.51 12.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 10.0 109.613 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.4 mt -78.21 69.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 10.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 10.0 109.263 179.949 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.352 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.39 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.4 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.434 ' HB1' HG22 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.509 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 0.2 OUTLIER 50.9 34.56 10.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 10.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.509 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 13.2 t 69.51 97.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.502 1.126 . . . . 10.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.492 HG13 ' CE2' ' A' ' 6' ' ' TYR . 2.9 t -111.17 156.11 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 10.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.6 m -142.09 78.71 1.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 10.0 110.39 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.513 ' CD2' HBD2 ' A' ' 158' ' ' HEC . 31.6 m-85 -71.49 153.22 42.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 10.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -128.31 106.05 8.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 10.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 10' ' ' LYS . 3.2 p30 -111.77 -175.01 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -93.21 32.01 1.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 10.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 66' ' ' HIS . 0.4 OUTLIER -164.02 60.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 10.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.29 173.06 49.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 10.0 111.04 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -131.21 126.55 35.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 10.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.424 ' CG2' ' CMB' ' A' ' 128' ' ' HEC . 10.7 p -90.49 118.76 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 10.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.5 m -98.18 73.44 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 10.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.573 ' CZ ' HBB2 ' A' ' 128' ' ' HEC . 0.6 OUTLIER -42.49 161.37 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 10.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.579 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.3 OUTLIER -146.06 103.39 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -114.49 -49.09 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 10.0 109.623 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.63 -25.0 58.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 10.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.93 -39.68 15.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 10.0 109.267 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.605 ' CE1' ' C4D' ' A' ' 128' ' ' HEC . 1.5 m-70 -71.26 -47.06 59.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 10.0 109.548 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' CB ' HBB2 ' A' ' 98' ' ' HEC . . . -47.32 -24.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 10.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 20' ' ' HIS . 1.9 mt-10 -71.24 -51.72 23.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 10.0 110.36 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -56.39 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.6 1.187 . . . . 10.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.529 ' CD2' ' CB ' ' A' ' 28' ' ' ALA . 6.4 mp -53.64 -101.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 10.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.12 40.85 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.437 1.086 . . . . 10.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.395 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 1.6 m 72.08 -57.68 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.303 -0.999 . . . . 10.0 108.303 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.26 62.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.221 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -138.65 -55.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 10.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.366 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -112.47 -11.23 13.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 10.0 108.363 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.434 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 92.0 m-70 -104.23 -178.2 3.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 10.0 109.588 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 32' ' ' GLY . 14.5 tt0 -149.91 99.38 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 10.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . 46.9 99.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 10.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.4 m 67.66 104.88 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.568 0.805 . . . . 10.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG3' ' CMB' ' A' ' 98' ' ' HEC . 18.2 Cg_endo -75.0 178.39 7.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 10.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -166.94 -51.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 10.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -176.42 177.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 10.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.512 HD13 ' C1D' ' A' ' 98' ' ' HEC . 40.8 mt -151.92 150.54 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 10.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -101.34 106.07 17.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 10.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.419 HG22 ' CZ ' ' A' ' 15' ' ' PHE . 19.9 mm -116.82 130.76 71.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 10.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 42' ' ' LYS . 2.8 p30 179.64 163.9 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 10.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -65.85 71.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 10.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 40' ' ' ASP . 6.5 tttt -178.37 -43.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 10.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -106.52 -36.49 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 10.0 109.989 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.63 -16.09 14.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 10.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -97.56 -3.37 39.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.087 . . . . 10.0 109.568 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -105.04 -160.99 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 10.0 109.244 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' ALA . 16.7 p-10 -46.8 -26.97 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 10.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -37.96 -54.9 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 10.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 51' ' ' THR . 1.7 m -116.72 -73.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 10.0 108.271 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' CYS . 14.3 mmmt -38.46 99.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 10.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.485 ' CG2' ' N ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 176.96 -77.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.427 1.079 . . . . 10.0 110.378 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 1.398 ' SG ' ' CAC' ' A' ' 128' ' ' HEC . 0.2 OUTLIER -62.05 -52.83 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 10.0 108.259 -179.929 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.405 ' CE1' ' C1B' ' A' ' 128' ' ' HEC . 3.2 m170 -43.57 -44.42 6.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.638 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -69.88 79.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 10.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.39 -36.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.979 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -109.19 -75.77 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.608 1.193 . . . . 10.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -73.81 -177.04 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 10.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -135.14 69.07 0.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.573 1.17 . . . . 10.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.527 ' CB ' ' HA3' ' A' ' 64' ' ' GLY . 18.0 Cg_endo -75.08 -43.88 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.778 . . . . 10.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.585 ' O ' ' O ' ' A' ' 61' ' ' LYS . 9.9 t 38.26 36.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 10.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.585 ' O ' ' O ' ' A' ' 60' ' ' THR . 6.3 pttt 51.36 160.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 10.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.335 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 10.6 m 39.99 89.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 10.0 108.284 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.59 -18.6 8.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 10.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.527 ' HA3' ' CB ' ' A' ' 59' ' ' PRO . . . -91.06 -78.92 1.38 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.391 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 3.7 m -76.53 -59.64 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 10' ' ' LYS . 91.7 m-70 -74.15 90.65 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 10.0 109.529 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.4 mt -88.57 94.07 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 10.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 10.0 109.285 -179.99 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.395 ' CAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.398 ' CAC' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.391 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.495 ' CB ' HG21 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.33 -0.619 . . . . 10.0 109.33 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.518 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 2.9 m-20 36.72 32.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 10.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.537 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 3.5 t 68.48 72.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 10.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.673 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 11.8 t -98.64 147.59 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 10.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.1 m -121.52 111.43 17.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 10.0 110.376 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.673 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 8.8 m-30 -112.2 101.86 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 10.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -95.05 70.57 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 10.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 3.0 p30 -74.96 -176.07 2.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 10.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.72 -57.37 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 10.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -43.6 -81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 10.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -152.92 120.35 1.05 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.471 1.107 . . . . 10.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -53.29 138.9 31.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 10.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.7 p -137.01 72.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 10.0 109.354 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.6 m -70.84 101.71 2.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 10.0 110.349 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.514 ' CE1' HMD1 ' A' ' 158' ' ' HEC . 2.9 m-85 -60.39 160.03 9.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 10.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.616 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -129.92 116.49 18.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 10.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.518 ' HB3' ' N ' ' A' ' 2' ' ' ASP . 7.9 t-80 -121.63 -64.89 1.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 10.0 109.583 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.76 -27.05 67.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 10.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.72 -35.64 24.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 10.0 109.276 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.616 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -76.02 -52.41 10.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 10.0 109.556 -179.944 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' CB ' HBB2 ' A' ' 98' ' ' HEC . . . -46.02 -25.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 20' ' ' HIS . 3.6 mm-40 -40.87 -51.46 3.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 10.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -124.11 -48.54 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 10.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.536 HD11 ' C4C' ' A' ' 128' ' ' HEC . 0.3 OUTLIER -40.22 -86.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 10.0 109.278 179.945 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.516 ' O ' ' CMC' ' A' ' 98' ' ' HEC . . . 134.8 -171.69 22.27 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.528 1.142 . . . . 10.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.335 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -89.83 -60.2 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.009 . . . . 10.0 108.277 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 30' ' ' HIS . 1.5 m-20 -41.79 -26.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 10.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.482 ' HB1' ' CD2' ' A' ' 24' ' ' LEU . . . -41.85 -47.09 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 10.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.408 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 1.7 m -107.8 -56.79 2.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 10.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.52 ' HE1' ' C4B' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -79.58 -172.78 3.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 10.0 109.583 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -178.85 91.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 10.0 110.269 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.97 71.59 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 10.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.1 m 64.24 106.34 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 10.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.508 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -74.98 -177.55 3.54 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 10.0 111.054 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.423 ' O ' HAA2 ' A' ' 98' ' ' HEC . . . -178.27 -39.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 10.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER 178.99 156.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 10.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.575 ' CD1' ' C1D' ' A' ' 98' ' ' HEC . 36.9 mt -122.54 -1.57 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 39.66 90.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 10.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.8 mm -102.3 115.38 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 10.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 42' ' ' LYS . 4.0 t70 -163.43 165.91 23.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 10.0 109.238 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' HD3' ' CAA' ' A' ' 158' ' ' HEC . 0.0 OUTLIER -66.73 70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 10.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -178.63 -38.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 10.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -113.29 -44.43 3.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 10.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.459 ' HA ' ' CB ' ' A' ' 48' ' ' ALA . . . -54.01 -20.63 6.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 10.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -89.37 7.71 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 10.0 109.691 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -119.39 -159.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 109.237 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 48' ' ' ALA . 2.3 m-20 -40.08 -31.91 0.15 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.422 1.076 . . . . 10.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -36.24 -57.66 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 10.0 109.346 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.481 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 0.1 OUTLIER -110.0 -74.51 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 10.0 108.28 179.963 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.32 101.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 52' ' ' CYS . 0.8 OUTLIER -176.32 -77.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 10.0 110.373 -179.928 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 1.376 ' SG ' ' CAC' ' A' ' 128' ' ' HEC . 0.5 OUTLIER -77.5 -44.48 28.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 10.0 108.319 179.944 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.439 ' CG ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -53.15 -52.55 58.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 10.0 109.586 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -80.23 65.34 5.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 10.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -153.06 -51.42 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 10.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -93.91 -78.07 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 10.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -154.74 116.16 4.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 10.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.57 -140.41 6.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.104 . . . . 10.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 18.4 Cg_endo -74.92 171.7 17.79 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.483 1.781 . . . . 10.0 110.951 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.3 t -178.2 -47.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 10.0 110.366 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.17 -109.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 10.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 64' ' ' GLY . 0.5 OUTLIER -112.53 -65.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 10.0 108.211 -179.916 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.74 69.16 0.29 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.512 1.133 . . . . 10.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -127.87 -84.6 0.46 Allowed Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.371 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 3.0 p -79.51 -43.76 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.44 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 4.3 m-70 -68.31 103.96 1.73 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 10.0 109.574 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.4 mt -79.37 77.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 10.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 10.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.408 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.481 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.371 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.549 ' HA ' ' CG ' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.516 ' C ' ' CG1' ' A' ' 3' ' ' VAL . 0.4 OUTLIER 39.93 29.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 10.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.516 ' CG1' ' C ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 72.78 145.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 10.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.32 150.79 34.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 10.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m -114.86 121.38 43.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 10.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -110.49 150.42 28.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 10.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -118.08 127.8 54.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 10.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -130.64 179.85 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 10.0 109.293 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.3 23.74 7.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 -79.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 10.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 12' ' ' ASN . . . -161.47 37.18 0.4 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.531 1.145 . . . . 10.0 110.958 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 11' ' ' GLY . 43.0 m-20 47.36 -173.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 0.784 . . . . 10.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.456 HG21 ' C2D' ' A' ' 158' ' ' HEC . 1.5 p -169.17 62.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 10.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 m -52.89 136.19 34.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 10.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.482 ' CZ ' HMD2 ' A' ' 158' ' ' HEC . 85.1 m-85 -99.23 -173.01 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 10.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.589 ' OD1' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -151.07 115.46 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 10.0 109.268 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.549 ' CG ' ' HA ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -102.89 -46.48 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 10.0 109.632 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 6.3 tttt -88.29 -36.09 16.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 10.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.01 79.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 10.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.589 ' CE1' ' OD1' ' A' ' 16' ' ' ASP . 10.3 m170 -79.3 -63.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 109.621 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HB2' ' CBB' ' A' ' 98' ' ' HEC . . . -38.62 -31.28 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 10.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.6 mm-40 -52.23 -55.66 19.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.389 1.056 . . . . 10.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.1 -40.9 11.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 10.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.553 HD22 ' CBC' ' A' ' 128' ' ' HEC . 6.0 mp -68.83 -119.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 10.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 154.86 41.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.148 . . . . 10.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER 65.03 -74.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.317 -0.994 . . . . 10.0 108.317 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 25' ' ' GLY . 1.9 t70 -32.14 -38.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 10.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.536 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -41.54 -51.92 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 10.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.298 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.8 OUTLIER -106.07 -46.55 4.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 10.0 108.358 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.57 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 22.1 m-70 -94.93 -150.52 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 10.0 109.621 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -173.1 -150.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 10.0 110.298 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.01 -25.28 0.95 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 10.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.4 m -151.05 106.86 3.01 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 10.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.587 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 18.5 Cg_endo -74.9 -84.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.469 1.773 . . . . 10.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.587 ' CB ' ' O ' ' A' ' 34' ' ' PRO . . . 90.6 -69.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 10.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -177.25 175.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 10.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.569 HD13 ' CE1' ' A' ' 30' ' ' HIS . 62.9 mt -140.48 162.12 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.72 93.4 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 10.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.477 HG13 ' CMD' ' A' ' 98' ' ' HEC . 28.8 mm -106.62 95.89 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 10.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 172.44 152.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt 70.24 -144.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 10.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -84.29 50.45 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 10.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -130.35 -62.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.39 1.056 . . . . 10.0 110.085 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.458 ' HB3' ' CG2' ' A' ' 39' ' ' ILE . . . -57.54 -17.82 15.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.112 . . . . 10.0 109.414 179.9 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -96.43 -2.36 45.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 109.586 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 48' ' ' ALA . 2.6 tttt -102.61 -158.49 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 48' ' ' ALA . 19.2 m-20 -42.87 -29.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 10.0 109.364 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.452 ' HB3' ' CD1' ' A' ' 39' ' ' ILE . . . -38.87 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.395 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 84.5 m -92.43 -61.76 1.54 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 10.0 108.345 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 51' ' ' THR . 0.3 OUTLIER -58.35 102.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 10.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.458 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER 168.84 -65.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 10.0 110.385 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.432 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 18.7 t -100.16 72.64 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.12 . . . . 10.0 108.342 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 0.3 OUTLIER -159.02 -44.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 10.0 109.624 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.83 62.76 5.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 10.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -132.06 -54.75 0.98 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.559 1.162 . . . . 10.0 110.054 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -112.53 -60.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 10.0 109.232 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -149.74 97.37 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 10.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.13 121.8 1.78 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.413 1.071 . . . . 10.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.477 ' HG2' ' CA ' ' A' ' 64' ' ' GLY . 18.2 Cg_endo -75.03 82.06 2.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.782 . . . . 10.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.6 t -89.12 24.7 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 10.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -106.97 57.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 10.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.353 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 12.3 t 64.43 135.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 10.0 108.269 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . 75.13 -101.73 1.38 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 10.0 110.985 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.477 ' CA ' ' HG2' ' A' ' 59' ' ' PRO . . . 68.13 -54.95 0.42 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.036 -0.826 . . . . 10.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.376 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 0.8 OUTLIER -97.16 -21.26 17.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.245 -1.02 . . . . 10.0 108.245 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -77.5 87.65 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 10.0 109.641 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.445 ' O ' ' CG2' ' A' ' 67' ' ' ILE . 3.8 tt -48.71 114.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 10.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 10.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.298 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.395 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.376 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.45 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 46.6 m-20 -79.5 -40.72 29.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 10.0 109.339 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 4' ' ' VAL . 73.2 t -129.53 137.93 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 10.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.409 ' N ' HG13 ' A' ' 3' ' ' VAL . 1.4 m -120.75 162.72 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 10.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -154.25 112.57 3.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 110.445 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -94.82 143.85 26.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 10.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.51 120.91 20.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 10.0 110.293 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.459 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 23.0 m-20 -111.84 -11.25 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 10.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 8' ' ' ASN . 3.1 tptm 85.05 -49.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 10.0 109.233 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.48 67.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 10.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.488 ' O ' ' CE1' ' A' ' 66' ' ' HIS . . . 100.24 93.42 2.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 10.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -69.61 133.17 47.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 10.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.572 HG13 ' CE2' ' A' ' 15' ' ' PHE . 9.8 p -73.98 95.67 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -73.0 60.3 0.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.148 . . . . 10.0 110.4 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.572 ' CE2' HG13 ' A' ' 13' ' ' VAL . 4.8 m-85 -47.38 173.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 10.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.438 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 18.1 m-20 -148.26 127.75 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 10.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -103.0 -47.85 4.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 10.0 109.618 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -90.18 -40.94 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.527 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -60.84 -31.55 70.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 10.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.438 ' ND1' ' HB2' ' A' ' 16' ' ' ASP . 8.8 m170 -84.25 -64.53 1.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 10.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -39.35 -54.14 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 10.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -37.22 -31.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 10.0 110.29 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.2 mmtt -103.33 -47.84 4.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 10.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.647 HD22 ' C3C' ' A' ' 128' ' ' HEC . 3.7 mp -75.71 -115.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 10.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 159.34 37.74 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.463 1.102 . . . . 10.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.615 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER 70.68 -54.48 0.65 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.282 -1.007 . . . . 10.0 108.282 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 25' ' ' GLY . 62.1 m-20 -60.94 68.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 10.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.615 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -140.17 -59.37 0.54 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.566 1.166 . . . . 10.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.28 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.5 OUTLIER -113.11 -8.83 13.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 10.0 108.403 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -102.19 -171.77 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.614 1.196 . . . . 10.0 109.583 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 170.96 101.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 10.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.17 91.66 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 10.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 m 68.3 105.44 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 10.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.552 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.98 148.88 36.0 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 10.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.85 175.01 14.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -67.65 107.05 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.601 1.188 . . . . 10.0 109.291 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.418 ' CG2' ' N ' ' A' ' 38' ' ' ALA . 28.5 mt -73.18 164.96 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 10.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' CG2' ' A' ' 37' ' ' ILE . . . -100.04 90.53 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 10.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.495 HG23 ' CB ' ' A' ' 44' ' ' ALA . 39.1 mm -96.77 137.29 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 10.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 175.45 -75.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 10.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -133.21 142.46 48.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 10.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.07 -57.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.525 ' C ' ' CB ' ' A' ' 48' ' ' ALA . 2.6 m -91.81 52.86 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 10.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.495 ' CB ' HG23 ' A' ' 39' ' ' ILE . . . -179.34 -36.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 10.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -103.97 2.7 32.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 10.0 109.606 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -123.05 -153.08 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 10.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -39.89 -38.46 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 10.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.525 ' CB ' ' C ' ' A' ' 43' ' ' SER . . . -38.4 -48.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.379 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 61.9 m -113.07 -71.44 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 10.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.13 88.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 10.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' CYS . 7.0 t -173.27 -42.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.0 t -99.71 -40.35 7.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 10.0 108.314 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.415 ' C ' ' N ' ' A' ' 55' ' ' SER . 5.4 m170 -58.16 -24.35 58.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 10.0 109.575 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -46.76 -25.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 10.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 53' ' ' HIS . 8.4 t -105.72 -56.06 2.24 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.129 . . . . 10.0 110.059 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -86.72 133.88 33.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 10.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.2 t-20 77.22 176.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 10.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.77 84.73 0.37 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.504 1.127 . . . . 10.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.524 ' O ' ' CB ' ' A' ' 60' ' ' THR . 18.1 Cg_endo -75.1 -160.53 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 10.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.524 ' CB ' ' O ' ' A' ' 59' ' ' PRO . 2.3 m 84.47 -49.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 10.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.27 173.21 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 10.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.527 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 3.3 m -72.92 60.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 10.0 108.261 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . -146.09 -40.73 0.05 OUTLIER Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.542 1.151 . . . . 10.0 111.056 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 63' ' ' GLY . . . -32.13 -38.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.067 -0.813 . . . . 10.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.483 ' CB ' HMB1 ' A' ' 128' ' ' HEC . 0.8 OUTLIER -141.75 -61.56 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.317 -0.994 . . . . 10.0 108.317 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.488 ' CE1' ' O ' ' A' ' 11' ' ' GLY . 40.7 m-70 -51.4 149.38 4.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 10.0 109.593 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.8 mt -121.83 75.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 10.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 10.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.28 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.379 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.527 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.517 ' CB ' HG21 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.346 -0.612 . . . . 10.0 109.346 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' ALA . 7.5 m-20 38.48 51.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 10.0 109.339 -179.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 t 57.05 103.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 10.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.547 HG13 ' CE1' ' A' ' 6' ' ' TYR . 2.3 t -114.42 151.4 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 10.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -125.05 99.0 5.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 10.0 110.427 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.547 ' CE1' HG13 ' A' ' 4' ' ' VAL . 4.3 m-30 -86.0 127.75 34.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 10.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -113.44 97.22 6.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 10.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.72 156.46 17.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 10.0 109.341 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -49.15 -54.16 17.63 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.486 1.116 . . . . 10.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.67 -64.65 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 10.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.98 -135.75 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.105 . . . . 10.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -139.62 139.07 36.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 10.0 109.218 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.456 HG22 ' CB ' ' A' ' 65' ' ' CYS . 3.4 p -109.54 -17.17 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 10.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.624 ' O ' ' CD2' ' A' ' 15' ' ' PHE . 7.0 m 46.43 -174.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 10.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.624 ' CD2' ' O ' ' A' ' 14' ' ' THR . 26.4 m-85 -164.49 144.25 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 10.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.568 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 5.2 m-20 -129.36 117.34 20.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 10.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.565 ' CE1' ' NB ' ' A' ' 98' ' ' HEC . 8.5 t-80 -122.34 -65.46 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 10.0 109.589 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 3.9 tttt -65.18 -39.56 93.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.552 1.158 . . . . 10.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.5 -40.29 70.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.568 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -68.29 -53.43 24.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 10.0 109.566 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' CB ' HBB1 ' A' ' 98' ' ' HEC . . . -42.94 -39.43 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 10.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 2.2 mt-10 -53.3 -47.65 69.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 10.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -85.22 -52.81 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 10.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.554 HD23 ' CBC' ' A' ' 128' ' ' HEC . 6.7 mp -63.27 -118.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 10.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 158.68 36.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 10.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 67.41 -66.04 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.317 -0.994 . . . . 10.0 108.317 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 25' ' ' GLY . 3.0 p30 -39.97 -29.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 10.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.53 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -61.59 -43.95 97.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 10.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.316 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 72.2 m -98.21 -52.57 3.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 10.0 108.29 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.487 ' CE1' HD11 ' A' ' 37' ' ' ILE . 8.4 m-70 -97.41 -169.9 1.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 10.0 109.632 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 177.63 104.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 10.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.82 -62.65 0.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 m -162.93 114.7 1.08 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 10.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.579 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.3 Cg_endo -75.01 140.82 25.87 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.573 1.828 . . . . 10.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -145.19 -48.85 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 10.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.95 149.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 10.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.487 HD11 ' CE1' ' A' ' 30' ' ' HIS . 49.4 mt -113.0 -13.74 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 10.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 48.99 98.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 10.0 109.295 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.431 ' CG1' HMD3 ' A' ' 98' ' ' HEC . 19.1 mm -105.29 126.63 60.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' LYS . 14.2 t0 -178.4 158.96 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 10.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 4.8 ttpt -39.46 140.0 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 10.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER 90.58 -58.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 10.0 109.275 179.961 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -72.39 -67.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 10.0 110.03 179.965 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.66 -21.63 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 10.0 109.341 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -86.34 6.4 30.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 10.0 109.579 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 43' ' ' SER . 19.4 mttt -125.53 -164.48 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 10.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' ALA . 16.0 m-20 -39.26 -33.86 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 10.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -37.45 -83.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.324 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.4 t -95.91 -59.47 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 10.0 108.303 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 2.9 tptm -60.92 98.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 109.231 -179.916 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 52' ' ' CYS . 15.0 t -176.02 -51.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 110.364 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.434 ' N ' ' CG2' ' A' ' 51' ' ' THR . 1.8 t -76.56 176.26 8.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 108.298 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.523 ' CE1' ' NB ' ' A' ' 128' ' ' HEC . 13.5 m80 82.23 -49.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 10.0 109.589 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 60' ' ' THR . 0.0 OUTLIER -84.24 64.05 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 10.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.3 t -171.22 -46.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 10.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -101.98 -57.72 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 10.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -178.69 117.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 10.0 109.36 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 151.41 157.4 7.86 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 10.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.41 ' CB ' ' HA2' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -74.92 177.69 8.22 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.551 1.817 . . . . 10.0 111.077 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 54' ' ' LYS . 4.1 t -175.39 -36.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.485 1.115 . . . . 10.0 110.388 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 60' ' ' THR . 2.4 ptpt -36.91 -46.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 10.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.377 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 1.0 OUTLIER -162.74 -51.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 108.299 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.57 42.2 3.13 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.534 1.146 . . . . 10.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.41 ' HA2' ' CB ' ' A' ' 59' ' ' PRO . . . -77.33 -34.62 40.15 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.902 -0.879 . . . . 10.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.456 ' CB ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -130.92 -51.36 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 -179.91 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -53.88 117.77 3.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 10.0 109.518 -179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' LYS . 12.7 mm -109.7 120.64 61.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 10.0 109.242 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' ILE . 1.5 ttmp? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 10.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.316 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 0.577 HBB2 ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.377 ' CAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.4 OUTLIER 82.91 -42.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 10.0 109.198 179.919 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 t -153.81 105.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 10.0 109.333 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.45 90.66 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 10.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -77.06 124.88 28.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 10.0 110.444 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.447 ' CD2' HBD2 ' A' ' 158' ' ' HEC . 1.1 m-85 -113.88 123.89 50.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 10.0 110.959 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -87.8 128.83 35.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -141.19 174.14 10.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 12.83 25.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 10.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.9 72.09 1.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.425 1.078 . . . . 10.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.17 -127.12 7.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 10.0 111.045 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.24 120.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 10.0 109.39 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.462 ' CG2' HMB1 ' A' ' 128' ' ' HEC . 2.6 p -95.49 85.18 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 10.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 14' ' ' THR . 14.9 t -76.26 72.3 3.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 10.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.699 ' CE1' ' CBB' ' A' ' 128' ' ' HEC . 1.9 t80 -47.24 176.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.374 1.046 . . . . 10.0 111.058 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.569 ' OD2' ' CE1' ' A' ' 20' ' ' HIS . 0.9 OUTLIER -144.21 124.75 14.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 10.0 109.232 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.27 -59.22 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 10.0 109.627 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -81.24 -40.7 23.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 10.0 109.256 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.446 ' CB ' ' HB3' ' A' ' 16' ' ' ASP . . . -57.0 -38.91 73.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 10.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.569 ' CE1' ' OD2' ' A' ' 16' ' ' ASP . 5.2 m170 -73.98 -65.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 109.534 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -34.39 -40.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 10.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.2 mm-40 -39.05 -45.77 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 10.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' HIS . 12.2 mmtt -97.64 -43.16 7.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.088 . . . . 10.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.573 HD21 ' CAC' ' A' ' 128' ' ' HEC . 3.1 mp -73.3 -109.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 10.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.97 41.1 0.06 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 10.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER 70.9 -55.79 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.323 -0.991 . . . . 10.0 108.323 179.98 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.5 68.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 10.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -141.02 -55.26 0.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 10.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.302 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.1 OUTLIER -112.91 -13.22 13.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 10.0 108.28 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -103.71 -179.26 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 10.0 109.526 -179.945 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -179.2 104.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 10.0 110.363 -179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.44 88.87 0.1 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 10.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m 70.49 104.44 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.738 . . . . 10.0 110.421 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.561 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.91 136.13 20.18 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 10.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -151.65 157.92 42.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 10.0 109.276 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.448 ' N ' HAA2 ' A' ' 98' ' ' HEC . 0.0 OUTLIER -43.48 137.43 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.36 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.443 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 41.1 mt -111.69 161.85 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 10.0 109.281 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.33 87.12 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 10.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.407 HD11 ' CB ' ' A' ' 44' ' ' ALA . 4.5 mm -118.31 117.58 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 10.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -143.24 -73.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 10.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HG3' ' C2A' ' A' ' 158' ' ' HEC . 0.0 OUTLIER -171.39 72.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 10.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.76 -45.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 10.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -101.48 -38.67 7.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 10.0 109.999 -179.963 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.407 ' CB ' HD11 ' A' ' 39' ' ' ILE . . . -56.35 -17.52 8.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 10.0 109.266 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -102.71 4.73 38.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 10.0 109.619 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.32 -154.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 10.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 48' ' ' ALA . 3.5 p-10 -47.14 -36.06 7.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 10.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -35.86 -47.06 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 10.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.445 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 57.5 m -121.4 -110.85 0.33 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 1.165 . . . . 10.0 108.255 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER 27.35 -124.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 10.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 50' ' ' LYS . 44.7 m 33.41 -99.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 1.444 ' SG ' ' CAC' ' A' ' 128' ' ' HEC . 1.9 t -41.2 -70.14 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 10.0 108.316 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.472 ' CE1' ' C1B' ' A' ' 128' ' ' HEC . 0.5 OUTLIER -38.15 -37.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 10.0 109.584 179.964 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' THR . 2.3 mtpt -85.2 51.74 2.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 10.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -149.67 -68.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 10.0 110.021 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -76.79 -68.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -89.56 175.24 7.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 10.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -128.69 76.07 0.41 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.456 1.097 . . . . 10.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.481 ' O ' ' C ' ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.08 3.83 5.31 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 10.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 59' ' ' PRO . 68.4 m -32.36 -66.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 10.0 110.451 179.914 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 139.98 58.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 10.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.374 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 77.2 m -44.47 -51.63 8.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 10.0 108.282 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -42.04 -27.59 0.41 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.455 1.097 . . . . 10.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 62' ' ' CYS . . . -52.68 -85.08 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.852 . . . . 10.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.427 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 36.7 m -68.18 -59.81 2.94 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.368 -0.975 . . . . 10.0 108.368 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -70.71 101.69 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 10.0 109.587 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.7 mm -72.71 76.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.406 1.066 . . . . 10.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 10.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.302 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.445 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.427 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 164.87 -48.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 10.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 4' ' ' VAL . 2.4 t -143.47 163.14 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 10.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.509 ' CG1' ' CE2' ' A' ' 6' ' ' TYR . 9.9 t -133.93 104.17 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.579 1.174 . . . . 10.0 109.281 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.6 m -122.59 116.39 23.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 10.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.509 ' CE2' ' CG1' ' A' ' 4' ' ' VAL . 37.7 m-85 -113.53 133.12 55.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.03 118.81 18.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 10.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -104.59 -175.8 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 10.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -69.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.95 57.78 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 10.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 139.45 -155.65 24.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 10.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -177.66 114.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.774 . . . . 10.0 109.305 179.931 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.9 p -52.5 146.48 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 10.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 15' ' ' PHE . 33.5 m -119.48 26.79 9.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 10.0 110.426 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.413 ' O ' ' O ' ' A' ' 14' ' ' THR . 3.1 t80 -40.96 164.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 10.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -137.22 163.29 31.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 10.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.47 -49.44 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 10.0 109.611 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -41.06 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 10.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.36 70.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 10.0 109.325 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.481 ' CE1' ' C1A' ' A' ' 128' ' ' HEC . 1.0 OUTLIER -82.95 -61.79 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 10.0 109.675 179.955 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.48 ' CB ' HBB3 ' A' ' 98' ' ' HEC . . . -45.12 -27.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 10.0 109.235 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 20' ' ' HIS . 1.5 mm-40 -42.32 -48.7 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 10.0 110.235 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -103.06 -28.86 11.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 10.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.499 ' CD2' HBC2 ' A' ' 128' ' ' HEC . 4.8 mp -88.43 -113.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 10.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.47 175.91 28.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 10.0 110.974 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.371 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -83.3 4.03 28.89 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.251 -1.018 . . . . 10.0 108.251 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.96 11.46 25.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 10.0 109.245 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.99 -57.75 2.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 10.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.33 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 3.6 m -90.99 -31.42 16.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 10.0 108.343 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -101.78 -164.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 10.0 109.591 179.982 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 179.76 85.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 10.0 110.259 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.39 91.74 0.68 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.591 1.182 . . . . 10.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.1 m 63.49 104.99 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 10.0 110.429 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.575 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 18.1 Cg_endo -75.01 -166.68 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 10.0 110.957 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 175.7 -52.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.506 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER 178.96 160.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 10.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.524 HG13 ' C3D' ' A' ' 98' ' ' HEC . 2.6 mt -127.7 1.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 10.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 43.2 93.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 10.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.514 ' CG1' HMD3 ' A' ' 98' ' ' HEC . 8.2 mm -104.7 128.51 58.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 10.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 42' ' ' LYS . 4.0 m-20 -152.78 163.13 40.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 10.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HG2' ' CAA' ' A' ' 158' ' ' HEC . 0.0 OUTLIER -70.25 58.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.239 -179.961 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -151.09 -49.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 10.0 109.311 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -107.97 -36.35 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 10.0 109.96 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.44 ' CB ' HG21 ' A' ' 39' ' ' ILE . . . -57.03 -18.3 13.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 10.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -101.19 3.57 41.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 10.0 109.583 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 1.3 tttp -111.16 -161.55 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 10.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.483 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 45.3 t0 -42.82 -27.91 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 10.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -41.72 -58.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 10.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 50' ' ' LYS . 81.1 m -118.52 -52.67 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 10.0 108.275 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -33.25 -78.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 10.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.483 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 2.1 m -32.76 -63.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.477 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -39.72 -77.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 10.0 108.265 179.957 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.436 ' CE1' ' CHB' ' A' ' 128' ' ' HEC . 4.1 m170 -43.04 -40.99 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 10.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.78 74.2 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.3 t -176.01 -62.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 10.0 110.025 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -106.35 -58.6 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 10.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -41.37 122.08 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 10.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.4 -64.94 3.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.574 1.171 . . . . 10.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.43 ' HB2' ' CA ' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -74.98 96.25 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.792 . . . . 10.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.1 p -97.75 31.94 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 10.0 110.357 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -155.59 -162.77 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 10.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.387 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 12.8 m -46.94 125.78 7.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 10.0 108.306 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.85 -21.1 37.11 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.553 1.158 . . . . 10.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 59' ' ' PRO . . . -75.76 -27.5 62.76 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.011 -0.835 . . . . 10.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.0 m -126.56 -74.01 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -59.32 148.08 33.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 10.0 109.576 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.1 mt -125.16 88.31 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.601 1.188 . . . . 10.0 109.228 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 10.0 109.26 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.371 ' CAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 0.499 HBC2 ' CD2' ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.387 ' CAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -119.2 -48.04 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 10.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 80.5 t -129.99 110.76 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 10.0 109.363 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' PHE . 71.0 t -98.71 125.55 52.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 10.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.1 m -131.96 122.88 26.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 10.0 110.399 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.461 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 26.6 m-85 -113.15 117.18 31.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 10.0 110.999 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.39 106.9 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 10.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -98.04 -177.94 3.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 10.0 109.228 -179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -64.12 -68.76 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 10.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -137.22 77.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 10.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.99 -38.41 0.04 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.53 1.144 . . . . 10.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 41.39 88.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 10.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.474 ' CG2' HMB2 ' A' ' 128' ' ' HEC . 7.5 p -84.45 121.83 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 10.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.5 m -104.63 63.3 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 10.0 110.377 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.69 ' CE1' ' CBB' ' A' ' 128' ' ' HEC . 0.7 OUTLIER -53.02 171.32 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 10.0 111.033 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.405 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 7.1 m-20 -146.18 140.33 26.54 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 10.0 109.305 -179.925 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -104.28 -53.92 2.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 10.0 109.582 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -81.76 -43.54 18.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 10.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.52 -36.46 71.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 10.0 109.304 -179.917 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.548 ' CD2' ' ND ' ' A' ' 128' ' ' HEC . 6.2 m170 -78.4 -64.54 1.15 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 10.0 109.582 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.508 ' CB ' HBB3 ' A' ' 98' ' ' HEC . . . -42.27 -46.9 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 10.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.11 -28.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 10.0 110.346 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 69.6 mmtt -112.89 -20.05 11.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 10.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.679 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.08 -124.56 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 10.0 109.269 179.952 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 169.3 36.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 10.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.374 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.0 OUTLIER 65.62 -68.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.292 -1.003 . . . . 10.0 108.292 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 25' ' ' GLY . 81.9 m-20 -35.21 -33.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 10.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -40.99 -41.39 1.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 10.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.279 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 3.4 m -110.71 -58.62 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 10.0 108.272 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.667 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -85.14 -159.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 10.0 109.6 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.14 122.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 10.0 110.287 -179.912 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.6 -58.5 0.93 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 10.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 m -141.87 106.84 5.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 10.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.667 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -75.01 -91.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.524 1.802 . . . . 10.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 34' ' ' PRO . . . 88.37 -55.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 10.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.18 175.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 10.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.518 HD12 ' C1D' ' A' ' 98' ' ' HEC . 3.5 mt -138.21 164.84 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 10.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.76 80.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.426 ' HB ' ' CGD' ' A' ' 98' ' ' HEC . 12.3 mm -107.56 123.5 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 10.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' LYS . 40.3 p30 -161.13 171.44 18.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 10.0 109.386 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 68.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 10.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -173.26 -46.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 10.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 69.6 m -106.74 -34.0 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 10.0 109.952 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.416 ' CB ' HG23 ' A' ' 39' ' ' ILE . . . -58.64 -17.39 21.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 10.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -102.11 2.28 37.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.594 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.4 -155.13 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 10.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -44.43 -29.54 0.71 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.467 1.104 . . . . 10.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 43' ' ' SER . . . -41.34 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 10.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.48 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 88.0 m -92.7 -74.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 10.0 108.345 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.99 100.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 174.08 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 10.0 110.375 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 1.398 ' SG ' ' CAC' ' A' ' 128' ' ' HEC . 0.7 OUTLIER -82.24 -42.79 18.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 10.0 108.35 179.995 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.401 ' C ' ' N ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -45.73 -27.53 0.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 10.0 109.574 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -46.19 -25.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 53' ' ' HIS . 16.4 m -97.34 -51.36 4.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 10.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' A' ' 58' ' ' GLY . 4.8 m120 -97.13 124.89 41.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 10.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 51.0 m-80 64.36 -72.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 10.0 109.264 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' ASN . . . 60.35 99.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.469 1.106 . . . . 10.0 111.087 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.431 ' O ' ' OG1' ' A' ' 60' ' ' THR . 18.4 Cg_endo -74.95 163.71 34.87 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.531 1.806 . . . . 10.0 111.059 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 59' ' ' PRO . 1.1 m -175.04 -37.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 10.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.38 20.63 3.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 10.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.2 t 77.99 -58.87 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 10.0 108.337 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.88 48.77 3.95 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 10.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.21 -43.17 3.83 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.4 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 7.6 p -115.88 -41.31 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.274 -1.01 . . . . 10.0 108.274 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -64.55 169.22 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 10.0 109.617 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 91.5 mt -118.41 92.14 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 10.0 109.366 179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 10.0 109.325 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.374 ' CAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.48 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.4 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.719 ' HB3' ' CB ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -114.59 -11.95 12.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.383 1.052 . . . . 10.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 2' ' ' ASP . 5.8 m -37.05 151.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.495 HG11 ' CZ ' ' A' ' 6' ' ' TYR . 11.9 t -121.99 69.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 10.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' VAL . 34.3 m -36.88 121.23 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 10.0 110.398 -179.932 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.495 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 4.0 m-85 -130.11 95.11 3.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 111.06 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -69.78 156.41 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 10.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 5.9 p30 -159.32 170.83 20.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 10.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -60.5 -49.56 77.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.426 1.079 . . . . 10.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 10.0 109.351 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -136.72 -101.26 0.59 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.439 1.087 . . . . 10.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -160.68 124.33 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 10.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.2 43.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 10.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.3 m -42.24 99.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 10.0 110.42 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.5 ' CZ ' HBB1 ' A' ' 128' ' ' HEC . 1.2 m-85 -56.6 -166.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 10.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.584 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 7.6 m-20 -163.55 94.29 0.78 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 10.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.719 ' CB ' ' HB3' ' A' ' 2' ' ' ASP . 0.4 OUTLIER -88.98 -38.24 14.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.583 1.177 . . . . 10.0 109.631 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.648 ' N ' ' HB3' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -61.91 -79.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 10.0 109.274 -179.942 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -37.64 -48.21 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 10.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.584 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 3.2 m80 -63.31 -67.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 10.0 109.577 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 17' ' ' HIS . . . -40.59 -34.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 10.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.3 mm-40 -61.0 -46.72 89.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 10.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 20' ' ' HIS . 2.3 mmtp -88.72 -52.66 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 10.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD22 ' CAC' ' A' ' 128' ' ' HEC . 3.0 mp -67.69 -112.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 10.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.459 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 148.44 42.48 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.53 1.143 . . . . 10.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.717 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 70.51 -53.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.378 -0.971 . . . . 10.0 108.378 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' GLY . 1.1 m-20 -57.7 66.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.717 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -150.64 -45.3 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 10.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.289 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 75.2 m -104.91 -24.91 12.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 10.0 108.321 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.601 ' CD2' ' HB3' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -99.29 -171.84 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 10.0 109.66 179.917 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.7 57.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 10.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.0 99.06 2.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 10.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.7 m 68.93 104.5 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.44 0.729 . . . . 10.0 110.399 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.601 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 18.2 Cg_endo -75.0 -179.07 4.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.454 1.765 . . . . 10.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 173.52 -49.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.481 1.113 . . . . 10.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER 178.44 172.67 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 10.0 109.299 -179.921 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.541 HD13 ' C1D' ' A' ' 98' ' ' HEC . 1.7 mt -148.48 151.07 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 10.0 109.306 179.942 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.45 96.16 8.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 10.0 109.329 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.468 ' CG1' ' O2D' ' A' ' 98' ' ' HEC . 37.7 mm -112.74 104.57 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 10.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.409 ' N ' ' HB1' ' A' ' 44' ' ' ALA . 9.5 p30 -159.09 -177.48 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 10.0 109.357 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -68.88 67.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 10.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 40' ' ' ASP . 76.6 tttt -168.64 -56.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 10.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -102.22 -33.44 9.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 10.0 109.996 179.983 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.446 ' HA ' ' HB3' ' A' ' 48' ' ' ALA . . . -64.68 -10.34 26.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 10.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.46 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 6.2 m170 -119.91 7.56 10.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 10.0 109.535 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.521 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -143.3 -124.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 10.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.564 ' O ' ' C ' ' A' ' 48' ' ' ALA . 16.9 m-20 -31.48 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 10.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.564 ' C ' ' O ' ' A' ' 47' ' ' ASP . . . -26.25 -74.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 10.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 1.39 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 60.6 m -96.99 -133.04 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 10.0 108.302 179.931 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER 34.74 36.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 10.0 109.251 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 49' ' ' CYS . 1.5 p -132.83 -106.12 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.579 1.175 . . . . 10.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.538 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 2.4 t -64.36 102.44 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 10.0 108.314 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER 168.45 -44.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 10.0 109.591 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.431 ' CG ' ' CG2' ' A' ' 60' ' ' THR . 1.0 OUTLIER -81.31 66.31 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 10.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.26 -54.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.107 . . . . 10.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -123.71 -71.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 10.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -124.96 101.65 7.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 10.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.5 89.22 0.11 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.542 1.151 . . . . 10.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 53.54 3.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 10.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.431 ' CG2' ' CG ' ' A' ' 54' ' ' LYS . 5.7 t -90.05 45.17 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 10.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -119.13 37.41 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 10.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 1.458 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 2.2 t 74.39 147.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 10.0 108.332 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' GLY . . . 75.83 -52.3 2.81 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 10.0 110.987 -179.942 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLY . . . -34.64 -67.72 0.25 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.402 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 2.4 m -68.83 -59.69 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.283 -1.006 . . . . 10.0 108.283 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 68' ' ' LYS . 83.9 m-70 -73.94 96.09 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 10.0 109.554 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.0 mm -63.93 81.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 10.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 66' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 10.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' HEC . . . . . 1.289 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 128' ' ' HEC . . . . . 1.39 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 158' ' ' HEC . . . . . 1.458 ' CAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 3' ' ' VAL . 76.6 t -133.45 70.02 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 10.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 73.8 t -53.55 144.03 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 10.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.7 m -136.5 143.71 43.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.497 ' HB2' HG13 ' A' ' 13' ' ' VAL . 5.7 m-85 -136.67 113.91 10.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 10.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.18 115.03 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -99.48 175.33 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 10.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.15 -28.66 25.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 10.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -121.92 65.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.02 -157.87 14.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.13 . . . . 10.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -152.52 156.09 38.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 10.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.564 HG23 ' HB3' ' A' ' 65' ' ' CYS . 8.0 p -128.33 66.82 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 10.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -58.29 98.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 10.0 110.396 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -73.96 178.49 4.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.471 ' OD1' ' HB3' ' A' ' 19' ' ' ALA . 4.8 m-20 -146.94 133.41 19.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 10.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.481 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -109.92 -59.48 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 10.0 109.626 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -79.69 -50.77 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 10.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.471 ' HB3' ' OD1' ' A' ' 16' ' ' ASP . . . -56.51 -27.94 58.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 10.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.58 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -88.92 -51.29 5.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 10.0 109.612 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -40.08 -29.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 10.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 20' ' ' HIS . 2.5 mt-10 -51.98 -56.32 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 10.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.06 -47.68 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.622 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 6.6 mp -60.72 -101.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 10.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 128.23 35.14 0.51 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 10.0 111.064 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 64.36 -75.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.328 -0.989 . . . . 10.0 108.328 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 25' ' ' GLY . 16.7 t0 -39.37 -31.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 10.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.622 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -48.21 -37.63 16.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 m -111.0 -58.29 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 10.0 108.309 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 27' ' ' ASP . 38.6 m-70 -76.65 173.81 11.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 10.0 109.57 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.01 91.58 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.95 103.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 10.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.0 m 67.4 104.72 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 10.0 110.369 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.546 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -74.98 -172.65 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 10.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 173.12 -55.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HD2' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -177.63 172.08 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 10.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 37' ' ' ILE . 46.4 mt -132.97 8.04 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 10.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.426 ' HB2' ' HD2' ' A' ' 36' ' ' LYS . . . 39.73 87.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 10.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.029 HG23 ' HB2' ' A' ' 44' ' ' ALA . 7.3 mm -122.18 143.16 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 10.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -172.17 -66.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.5 80.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 10.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 172.26 -49.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 10.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.71 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -92.56 -43.02 9.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 10.0 109.984 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 1.029 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -56.53 -18.56 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 10.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -100.24 4.41 44.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 10.0 109.622 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.446 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -113.12 -162.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 10.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 48' ' ' ALA . 44.8 m-20 -40.88 -29.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 10.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.31 -62.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 10.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 94.4 m -102.44 -64.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 10.0 108.323 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 51' ' ' THR . 0.5 OUTLIER -56.38 95.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 10.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER 171.51 -58.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 10.0 110.363 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 14.0 t -102.74 62.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 10.0 108.343 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.607 ' CB ' HG23 ' A' ' 60' ' ' THR . 5.3 m-70 -148.95 -46.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 109.557 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.917 ' HG3' HG21 ' A' ' 60' ' ' THR . 43.7 mttt -61.85 80.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 10.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 53' ' ' HIS . 8.7 p 169.69 -50.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 10.0 109.964 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -120.25 173.47 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 7.9 t30 78.08 -66.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 10.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.94 -79.97 0.36 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 10.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.47 1.773 . . . . 10.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.917 HG21 ' HG3' ' A' ' 54' ' ' LYS . 47.5 m -112.52 -23.88 10.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 110.376 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -92.91 -158.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 10.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -44.74 135.8 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 108.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.44 -28.58 14.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 10.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.6 -66.04 2.31 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.564 ' HB3' HG23 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -87.35 -71.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.328 -0.99 . . . . 10.0 108.328 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -54.58 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 109.607 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 67' ' ' ILE . 11.2 tt -44.86 108.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 10.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 10.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.284 -0.635 . . . . 10.0 109.284 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -174.61 129.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 t -111.19 150.17 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 10.0 109.351 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -126.94 117.12 21.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 10.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -111.51 89.79 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 10.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -88.18 124.21 33.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 10.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -130.93 -176.57 4.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 10.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -70.13 -66.98 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.598 1.186 . . . . 10.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -40.24 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 10.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.48 128.04 1.89 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.089 . . . . 10.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -58.57 138.04 57.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.764 . . . . 10.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 13' ' ' VAL . 4.4 p -119.61 80.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 10.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.2 m -55.4 146.29 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 110.341 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -114.13 -172.49 2.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.393 1.058 . . . . 10.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.752 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 44.7 m-20 -158.64 127.04 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 10.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.427 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -103.39 -41.31 6.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 10.0 109.581 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -102.77 -26.59 13.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 10.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.752 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -74.91 -25.93 59.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 10.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.422 ' ND1' ' HB2' ' A' ' 16' ' ' ASP . 0.6 OUTLIER -96.96 -56.84 2.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 10.0 109.607 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -39.78 -47.12 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 10.0 109.326 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' ALA . 9.2 pt-20 -37.03 -33.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 10.0 110.232 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' ALA . 12.9 mmtt -109.52 -60.39 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 10.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.622 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 8.7 mp -41.54 -76.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 10.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.3 14.56 6.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 10.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 74.19 -68.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.358 -0.979 . . . . 10.0 108.358 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.14 -26.58 0.49 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 10.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.622 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -54.75 -38.65 67.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 10.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.521 ' SG ' HD23 ' A' ' 24' ' ' LEU . 12.8 m -105.96 -57.13 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 10.0 108.335 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.415 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 54.1 m-70 -79.9 178.79 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 10.0 109.596 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -156.08 96.93 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 10.0 110.32 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 58.9 97.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.438 1.086 . . . . 10.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.4 m 67.63 104.42 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.425 0.721 . . . . 10.0 110.439 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.415 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -74.93 -175.32 2.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 10.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -178.35 -50.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 10.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' O ' ' CG1' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -176.64 -172.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 10.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' A' ' 36' ' ' LYS . 23.2 mt -154.0 157.64 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 10.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.36 97.55 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 10.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.8 mm -134.88 112.82 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -166.21 -64.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 10.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' LYS . 17.0 tttt -143.78 -117.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 10.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -36.65 -46.13 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 10.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.696 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 5.1 m -50.4 -63.39 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 10.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.15 -16.83 14.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.092 . . . . 10.0 109.27 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -100.4 1.2 41.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 10.0 109.626 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -107.91 -158.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 10.0 109.289 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.53 -26.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 10.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -41.39 -58.82 1.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 10.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -107.47 -73.08 0.7 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 10.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -47.24 98.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.557 1.161 . . . . 10.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.579 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER -177.44 -72.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 10.0 110.384 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.579 ' N ' HG22 ' A' ' 51' ' ' THR . 16.6 t -93.4 64.48 3.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 10.0 108.313 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -159.36 -48.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 10.0 109.505 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.627 ' HB3' HG21 ' A' ' 60' ' ' THR . 1.5 pttt -71.18 73.32 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 10.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 t -171.55 -62.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 10.0 109.971 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -97.6 -60.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -40.81 -84.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 10.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.79 -64.28 0.6 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.539 1.149 . . . . 10.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 86.96 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 10.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.627 HG21 ' HB3' ' A' ' 54' ' ' LYS . 11.5 t -105.27 4.51 31.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 10.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 62' ' ' CYS . 8.6 pttt -110.43 -162.97 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 10.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.43 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -52.79 154.51 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 10.0 108.315 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLY . . . 84.58 -43.54 3.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 10.0 111.004 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' GLY . . . -37.01 -85.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.029 -0.829 . . . . 10.0 111.029 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.6 p -81.75 -54.68 5.18 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.285 -1.005 . . . . 10.0 108.285 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -60.69 128.68 37.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 10.0 109.659 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.9 mt -132.34 103.66 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 10.0 109.336 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 10.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 17' ' ' HIS . 33.0 m-20 . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 15' ' ' PHE . 7.9 p -85.8 144.13 10.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 10.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 4' ' ' VAL . 59.2 t -125.86 39.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.522 ' H ' HG22 ' A' ' 3' ' ' VAL . 9.9 m -42.21 131.6 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 10.0 110.371 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.432 ' HB2' HG22 ' A' ' 13' ' ' VAL . 2.2 m-85 -85.78 -173.97 4.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 10.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.26 42.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 10.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -59.91 177.95 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 10.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -99.45 7.73 45.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 10.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.569 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 0.0 OUTLIER -137.82 75.49 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 10.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.92 100.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 10.0 111.052 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -68.77 142.73 54.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.453 0.737 . . . . 10.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.432 HG22 ' HB2' ' A' ' 6' ' ' TYR . 9.6 m -91.47 154.81 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 10.0 109.217 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.0 m -102.75 71.39 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 10.0 110.476 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.809 ' O ' HG23 ' A' ' 3' ' ' VAL . 0.2 OUTLIER -44.93 164.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 10.0 110.992 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.533 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 3.7 m-20 -150.6 116.7 5.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 10.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.491 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.2 t-80 -105.08 -50.96 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 10.0 109.566 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 2.3 tttt -89.53 -34.62 16.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 10.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.508 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -65.85 -36.93 84.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 10.0 109.232 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.533 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -79.23 -59.71 2.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 10.0 109.571 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.89 -30.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 10.0 109.236 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.2 mm-40 -47.34 -52.63 15.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 10.0 110.291 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -90.6 -41.59 11.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 10.0 109.276 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.812 HD23 ' CB ' ' A' ' 28' ' ' ALA . 5.5 mp -71.74 -108.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 10.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 138.49 40.37 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.448 1.092 . . . . 10.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 70.08 -59.22 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.281 -1.007 . . . . 10.0 108.281 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' GLY . 15.9 m-20 -66.4 62.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 10.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.812 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -142.17 -47.18 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 10.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.25 -7.08 11.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 108.334 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.595 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 93.1 m-70 -115.45 -167.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 10.0 109.548 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.34 116.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 10.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.48 -53.07 3.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.563 1.165 . . . . 10.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.4 m -145.96 105.26 4.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 10.0 110.425 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.595 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -74.96 52.02 2.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 10.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.91 -174.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.66 117.29 16.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 10.0 109.276 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.2 mt -80.32 158.35 4.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 10.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.7 89.65 6.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 10.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.871 HD12 ' HB2' ' A' ' 44' ' ' ALA . 20.2 mm -112.34 137.35 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 10.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 178.49 -50.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 10.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 41' ' ' LYS . 1.6 tttt 178.29 58.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 10.0 109.27 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' LYS . 9.9 ttmt -164.22 -75.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 10.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.791 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -60.96 -49.16 78.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 10.0 110.072 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.871 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -62.48 -13.73 33.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -114.72 3.53 14.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 10.0 109.593 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 42' ' ' LYS . 20.3 tttt -107.89 -106.22 0.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 109.325 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.409 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 1.6 m-20 -109.47 -17.27 13.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 10.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.791 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -47.31 -55.9 7.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 10.0 109.316 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 51' ' ' THR . 0.8 OUTLIER -97.29 -67.72 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 10.0 108.269 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -54.89 90.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 10.0 109.226 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 49' ' ' CYS . 1.0 OUTLIER -175.77 -52.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 10.0 110.401 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.55 -57.11 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 10.0 108.328 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -48.41 -62.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 10.0 109.604 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -73.02 59.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 10.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -149.69 -47.26 0.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.438 1.086 . . . . 10.0 110.048 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -115.33 -68.73 0.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 10.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -176.98 130.19 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.071 . . . . 10.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.68 -168.04 37.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.566 1.166 . . . . 10.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.05 9.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 10.0 111.039 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.1 t -173.33 46.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 10.0 110.395 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 62' ' ' CYS . 12.4 ptmt -155.01 31.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 10.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 61' ' ' LYS . 3.8 t 81.57 -70.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 10.0 108.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.4 58.42 0.64 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.498 1.124 . . . . 10.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.5 -85.57 0.1 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.9 m -62.14 -51.39 68.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.339 -0.985 . . . . 10.0 108.339 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.569 ' CE1' ' O ' ' A' ' 10' ' ' LYS . 4.2 m-70 -65.6 141.51 58.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 10.0 109.632 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mm -128.14 110.55 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 10.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 10.0 109.343 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.827 HG13 ' O ' ' A' ' 15' ' ' PHE . 54.8 t -137.77 117.58 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.251 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' PHE . 3.2 t -89.85 158.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 10.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.407 ' N ' ' CG1' ' A' ' 4' ' ' VAL . 52.9 m -130.84 123.65 29.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 10.0 110.483 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -120.49 93.89 4.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.402 1.064 . . . . 10.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -81.03 134.23 35.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 10.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -134.22 170.4 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 10.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -51.82 -65.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 10.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -47.47 -68.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 10.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.31 -142.65 3.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.471 1.107 . . . . 10.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -148.13 156.73 42.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.796 . . . . 10.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.9 m -129.84 104.19 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.742 HG23 ' O ' ' A' ' 14' ' ' THR . 13.1 t -69.13 83.59 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 10.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.827 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.5 m-30 -47.93 167.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 10.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.544 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 7.5 m-20 -137.24 122.26 19.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 10.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -104.55 -60.86 1.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 10.0 109.598 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -85.22 -31.19 23.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.168 . . . . 10.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.96 -28.92 67.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 10.0 109.321 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.646 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -92.11 -50.3 5.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 10.0 109.548 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -38.94 -30.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 10.0 109.263 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' HIS . 1.9 mt-10 -54.62 -50.3 68.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 10.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 20' ' ' HIS . 10.9 mttt -92.26 -56.42 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 10.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.646 HD13 ' CB ' ' A' ' 20' ' ' HIS . 7.3 mp -47.33 -85.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 10.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 118.1 24.28 3.32 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.47 1.106 . . . . 10.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER 67.88 -69.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.319 -0.993 . . . . 10.0 108.319 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' GLY . 69.2 m-20 -39.85 -30.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 10.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -51.48 -43.63 62.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 10.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 26' ' ' CYS . 5.5 m -105.01 -51.38 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 10.0 108.282 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.533 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 3.4 m80 -97.29 -153.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 10.0 109.658 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -139.52 -156.0 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 10.0 110.359 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.51 -20.67 7.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 10.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.1 m -151.75 107.87 2.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 10.0 110.397 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.533 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.3 Cg_endo -74.99 -164.96 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.516 1.798 . . . . 10.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 176.49 -49.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 10.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.08 -178.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 10.0 109.265 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.533 HG22 HG12 ' A' ' 39' ' ' ILE . 19.3 mt -150.51 148.52 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 10.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.52 98.85 11.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 10.0 109.293 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.684 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 3.4 mm -124.1 144.17 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 10.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 9.0 t0 -177.64 -67.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 10.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -178.37 67.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 10.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -169.48 -65.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 10.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.789 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -76.56 -47.39 22.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 10.0 110.026 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.684 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . . . -55.21 -18.63 6.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 10.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -101.2 6.77 43.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 10.0 109.641 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.431 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -118.08 -162.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 10.0 109.267 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.504 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 2.7 m-20 -43.72 -27.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.23 -54.36 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 10.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.512 ' O ' ' C ' ' A' ' 50' ' ' LYS . 58.4 m -120.9 -56.2 1.95 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.117 . . . . 10.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -31.8 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 10.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.504 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 2.6 m -33.56 -81.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 110.363 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 6.9 t -62.49 89.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 10.0 108.262 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.466 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 1.0 OUTLIER 165.04 -60.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 10.0 109.593 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -73.69 67.06 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 10.0 109.249 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -148.65 -45.97 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 10.0 109.995 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -106.84 -68.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 10.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.43 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 2.5 t-20 -174.53 158.53 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.615 1.197 . . . . 10.0 109.356 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' A' ' 57' ' ' ASN . . . 136.33 -152.21 21.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 10.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.502 ' CG ' ' SG ' ' A' ' 65' ' ' CYS . 18.4 Cg_endo -74.96 135.15 18.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 10.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 m -168.79 -39.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 10.0 110.446 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 63' ' ' GLY . 4.9 ptmt -85.86 44.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 10.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 64' ' ' GLY . 10.6 t 65.37 -75.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 10.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -61.59 78.74 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.505 1.128 . . . . 10.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -152.4 -67.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.502 ' SG ' ' CG ' ' A' ' 59' ' ' PRO . 89.5 m -72.2 -55.68 6.83 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.285 -1.006 . . . . 10.0 108.285 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -74.13 89.91 2.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 10.0 109.607 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 67' ' ' ILE . 11.0 tt -44.16 108.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 10.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.467 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 15' ' ' PHE . 95.4 t -133.02 126.27 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 15' ' ' PHE . 34.5 m -116.45 147.57 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 10.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.455 HG23 ' OD1' ' A' ' 12' ' ' ASN . 4.9 m -134.75 98.14 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 10.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.468 ' HB2' HG12 ' A' ' 13' ' ' VAL . 95.4 m-85 -69.76 96.23 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 10.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.411 ' HA ' ' CB ' ' A' ' 12' ' ' ASN . 2.6 mt-10 -70.2 121.48 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 10.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 10' ' ' LYS . 26.6 p30 -129.97 -172.38 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 10.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -41.75 30.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 10.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' C ' ' OD1' ' A' ' 8' ' ' ASN . 1.5 mmmt -85.98 48.75 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.318 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.401 ' C ' ' OD1' ' A' ' 8' ' ' ASN . . . 90.92 -126.19 8.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.135 . . . . 10.0 111.056 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.455 ' OD1' HG23 ' A' ' 5' ' ' THR . 12.0 p30 178.27 141.37 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 10.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.468 HG12 ' HB2' ' A' ' 6' ' ' TYR . 4.1 p -88.34 122.66 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 10.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.416 ' O ' HG22 ' A' ' 14' ' ' THR . 6.1 m -89.98 74.81 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 10.0 110.455 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.554 ' O ' HG13 ' A' ' 3' ' ' VAL . 0.9 OUTLIER -56.35 171.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.961 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 22.1 m-20 -148.41 110.16 4.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 10.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -95.17 -49.5 5.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 10.0 109.546 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -96.15 -14.44 22.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 10.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.961 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -80.6 -25.54 38.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 10.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.552 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 0.9 OUTLIER -102.17 -56.0 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 10.0 109.587 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -40.67 -44.22 2.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 10.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.49 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 10.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.1 mmmt -117.65 -52.83 2.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 10.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.558 HD12 ' CB ' ' A' ' 28' ' ' ALA . 2.0 mm? -45.41 -86.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 10.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' CYS . . . 128.36 4.52 5.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 10.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.9 m 85.8 -67.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 30' ' ' HIS . 24.8 m-20 -41.35 -27.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 109.367 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.558 ' CB ' HD12 ' A' ' 24' ' ' LEU . . . -50.6 -47.78 58.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 10.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.95 -50.7 3.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.551 1.157 . . . . 10.0 108.307 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' A' ' 27' ' ' ASP . 31.7 m-70 -85.16 -168.42 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 10.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 172.77 98.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 10.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.76 81.76 0.57 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.444 1.09 . . . . 10.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 m 74.46 105.11 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 10.0 110.351 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.5 26.92 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.395 1.734 . . . . 10.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -173.59 179.09 2.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 10.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -75.85 108.71 8.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 10.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 38' ' ' ALA . 28.8 mt -77.28 164.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 10.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.474 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -81.42 98.44 8.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.586 1.179 . . . . 10.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.571 HG23 ' HB2' ' A' ' 44' ' ' ALA . 4.0 mm -120.27 135.78 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 10.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER 165.57 173.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 10.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -37.78 135.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 10.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER 89.82 -73.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 10.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.703 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 2.7 m -53.56 -62.13 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 10.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.571 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -57.47 -17.17 11.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.571 1.17 . . . . 10.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -100.55 0.84 40.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 10.0 109.614 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -106.98 -154.84 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 10.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -53.55 -23.35 10.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -41.13 -56.23 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 109.248 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 m -109.29 -60.19 1.8 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 10.0 108.233 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 51' ' ' THR . 6.8 mtpt -55.26 98.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 109.368 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.584 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 168.75 -72.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 10.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.584 ' N ' HG22 ' A' ' 51' ' ' THR . 1.2 t -72.88 -8.47 55.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 10.0 108.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.4 ' ND1' ' HA2' ' A' ' 58' ' ' GLY . 1.4 m170 -98.42 27.56 4.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 10.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -107.1 -50.69 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 10.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 t -83.39 51.51 2.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 10.0 110.042 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 175.74 -163.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 10.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 58' ' ' GLY . 73.0 m-20 -61.46 -69.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 10.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . 37.59 91.59 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.428 1.08 . . . . 10.0 111.024 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 59.79 5.3 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.449 1.762 . . . . 10.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -85.9 44.54 1.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 10.0 110.405 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -114.71 28.61 8.61 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.579 1.174 . . . . 10.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER 88.04 -74.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 10.0 108.269 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.05 66.5 0.68 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.471 1.107 . . . . 10.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.0 -49.73 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.81 -44.11 6.5 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.346 -0.983 . . . . 10.0 108.346 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -88.06 104.79 16.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.395 1.06 . . . . 10.0 109.543 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 21.1 mt -102.72 96.92 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 10.0 109.348 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 10.0 109.253 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 4' ' ' VAL . 59.7 t 63.92 161.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 10.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 4' ' ' VAL . 98.1 t -144.01 58.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 10.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 t -40.47 160.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 10.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.491 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -143.59 111.09 5.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 10.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.28 127.68 32.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 10.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -141.23 -179.36 6.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 10.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -90.7 -37.88 13.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 10.0 109.353 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -101.22 51.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 10.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.9 141.93 1.07 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 10.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 12.4 p30 -73.92 149.0 41.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.805 . . . . 10.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' THR . 3.6 p -91.67 76.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' VAL . 1.9 m -38.03 111.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 10.0 110.378 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -84.5 -170.72 3.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 10.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.594 ' CB ' ' CG ' ' A' ' 20' ' ' HIS . 23.0 m-20 -153.37 110.29 3.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 10.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.6 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -109.17 -57.18 2.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 10.0 109.6 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.65 -47.56 10.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 10.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.488 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -59.28 -26.0 64.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 10.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.597 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -93.58 -50.37 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 10.0 109.623 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -45.52 -42.29 10.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 10.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -50.74 -23.98 3.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 10.0 110.287 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -116.34 -65.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 10.0 109.344 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.597 HD13 ' CB ' ' A' ' 20' ' ' HIS . 8.8 mp -38.64 -76.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 10.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.418 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 120.06 8.43 8.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.403 1.065 . . . . 10.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.425 ' C ' ' N ' ' A' ' 28' ' ' ALA . 1.1 m 76.13 -62.58 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' HIS . 8.8 p-10 -43.44 -27.62 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 10.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 26' ' ' CYS . . . -53.71 -40.73 66.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.0 m -105.05 -56.55 2.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 10.0 108.35 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.493 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 35.9 m-70 -85.52 -175.92 5.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 10.0 109.606 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 178.27 100.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 10.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.71 75.08 1.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 10.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.4 m 67.2 105.44 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.747 . . . . 10.0 110.405 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.493 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.5 Cg_endo -74.97 149.21 36.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 10.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -141.26 -45.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 10.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.27 -176.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 10.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 mt -142.95 157.71 17.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.76 78.12 4.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 10.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.576 HG23 ' HB2' ' A' ' 44' ' ' ALA . 27.3 mm -104.54 137.34 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.401 1.063 . . . . 10.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER 168.83 158.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 10.0 109.337 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 38.0 tttt -38.98 136.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 10.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 15.2 tttm 90.88 -68.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 10.0 109.234 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.61 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 33.1 m -59.16 -59.84 4.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 10.0 110.008 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.576 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -58.62 -17.11 19.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 10.0 109.371 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -98.83 -1.27 40.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 10.0 109.61 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.416 ' C ' ' N ' ' A' ' 48' ' ' ALA . 2.7 tttt -103.7 -158.56 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 10.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' ALA . 4.0 m-20 -46.66 -25.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 10.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.06 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 10.0 109.344 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 70.5 m -95.98 -67.96 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 10.0 108.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 51' ' ' THR . 0.7 OUTLIER -53.67 102.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.394 1.059 . . . . 10.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER 168.85 -59.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 10.0 110.367 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -52.47 65.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 10.0 108.287 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -56.75 -42.15 78.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 10.0 109.539 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -51.5 -30.25 19.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 10.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.5 t -52.32 -64.99 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 10.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -105.57 -76.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 10.0 109.375 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -169.37 159.73 8.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 10.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.25 -160.64 34.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 10.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.449 ' HB3' ' CA ' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -74.99 74.11 4.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 10.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.0 m -79.25 -43.34 23.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 10.0 110.377 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.41 ' CG ' ' N ' ' A' ' 62' ' ' CYS . 0.4 OUTLIER -97.02 -172.86 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 10.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.41 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -63.53 -177.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 10.0 108.321 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.71 28.82 3.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 10.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.449 ' CA ' ' HB3' ' A' ' 59' ' ' PRO . . . -107.12 -66.34 0.63 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.084 -0.806 . . . . 10.0 111.084 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.78 -64.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.285 -1.006 . . . . 10.0 108.285 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -56.1 160.29 2.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 10.0 109.603 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.1 mt -123.04 102.9 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 10.0 109.362 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.4 tttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 10.0 109.338 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 15' ' ' PHE . 14.5 p -172.16 128.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 10.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.477 HG12 ' CZ ' ' A' ' 6' ' ' TYR . 33.9 t -118.44 65.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 10.0 109.365 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.8 m -71.54 113.89 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 10.0 110.373 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.477 ' CZ ' HG12 ' A' ' 4' ' ' VAL . 37.1 m-85 -98.54 120.68 39.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.398 1.061 . . . . 10.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -88.52 115.91 26.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 10.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -116.58 -172.58 2.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 10.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -36.78 23.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 10.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.05 50.77 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 10.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.83 -124.55 7.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 10.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.424 ' O ' HD12 ' A' ' 67' ' ' ILE . 8.7 p-10 177.03 153.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 10.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -109.24 114.48 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 10.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.63 ' O ' HG22 ' A' ' 14' ' ' THR . 8.4 m -81.04 51.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 10.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.686 ' O ' HG23 ' A' ' 3' ' ' VAL . 83.5 t80 -46.61 168.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 10.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.447 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 20.6 m-20 -147.91 147.8 30.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 10.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.95 -54.61 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 10.0 109.551 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -85.52 -45.84 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 10.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.13 -29.3 65.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.549 1.156 . . . . 10.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.951 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -85.77 -52.61 5.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 10.0 109.582 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.11 -29.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 10.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 20' ' ' HIS . 1.3 mm-40 -47.11 -58.48 3.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 10.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -89.34 -47.38 8.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 10.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.951 HD13 ' HB3' ' A' ' 20' ' ' HIS . 1.4 mp -49.6 -87.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 26' ' ' CYS . . . 122.92 5.95 7.95 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.464 1.102 . . . . 10.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.8 m 83.82 -69.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.318 -0.993 . . . . 10.0 108.318 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -41.75 -28.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 10.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.508 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -50.21 -42.6 51.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 10.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.5 m -107.14 -54.35 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 10.0 108.355 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.47 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 47.2 m-70 -82.79 -176.85 6.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 10.0 109.579 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -160.63 112.62 1.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 10.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 44.34 92.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 10.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.0 m 69.6 105.15 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 10.0 110.363 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -75.02 -163.18 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 10.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 177.42 -58.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 10.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -177.2 172.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 10.0 109.279 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.7 mt -143.22 158.78 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 10.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.95 93.58 4.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 10.0 109.349 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.058 HD12 ' HB2' ' A' ' 44' ' ' ALA . 13.8 mm -123.3 139.62 49.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 10.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -171.93 -60.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 10.0 109.268 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.523 ' HA ' ' CE1' ' A' ' 45' ' ' HIS . 4.1 tmtt? -177.87 66.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 10.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.63 -77.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 10.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.755 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -66.81 -49.34 66.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 10.0 110.066 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 1.058 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -57.01 -17.55 10.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.593 1.183 . . . . 10.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.523 ' CE1' ' HA ' ' A' ' 41' ' ' LYS . 60.2 m80 -98.56 0.61 45.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 10.0 109.628 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.463 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -111.3 -164.88 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 10.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.476 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 7.3 m-20 -39.53 -29.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 10.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.16 -54.45 2.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 10.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 50' ' ' LYS . 3.7 m -123.64 -48.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 10.0 108.373 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 49' ' ' CYS . 2.8 mmtt -37.13 -55.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 10.0 109.321 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.476 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 6.8 m -68.16 -57.26 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 10.0 110.428 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 3.0 t -73.92 96.86 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 108.343 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.493 ' CG ' ' O ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER 162.76 -36.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 10.0 109.642 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -101.59 60.26 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 109.36 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.71 -49.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 10.0 109.951 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.33 -61.85 1.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 10.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 0.5 OUTLIER -166.29 123.58 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 10.0 109.253 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 175.99 158.72 20.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.579 1.174 . . . . 10.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.477 ' HG2' ' CA ' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -75.01 138.87 23.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 10.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -144.52 16.58 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 10.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -28.59 54.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 10.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 44.1 t -177.23 -106.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 10.0 108.317 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . -56.89 -71.78 0.68 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 10.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.477 ' CA ' ' HG2' ' A' ' 59' ' ' PRO . . . 68.65 -57.86 0.49 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.015 -0.834 . . . . 10.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' GLY . 2.2 p -88.97 -1.22 58.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -96.48 139.37 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 10.0 109.595 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.424 HD12 ' O ' ' A' ' 12' ' ' ASN . 3.3 mp -102.36 91.18 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 10.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 10.0 109.241 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.7 t -110.49 156.4 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 10.0 109.37 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.473 HG11 ' CZ ' ' A' ' 6' ' ' TYR . 79.7 t -134.51 146.97 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 10.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.17 124.4 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 10.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.473 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 59.7 m-85 -118.26 133.87 55.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 10.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -87.98 143.72 26.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 10.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -154.64 170.06 22.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 10.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -102.19 26.21 7.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 10.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.56 59.95 0.69 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 10.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.84 139.11 0.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 10.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.38 138.29 38.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 10.0 109.313 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 13' ' ' VAL . 10.8 p -113.48 60.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 10.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -55.43 127.42 29.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 10.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -101.88 -179.73 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.391 1.057 . . . . 10.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.473 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 61.1 m-20 -143.11 133.81 25.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 10.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -107.87 -58.7 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 10.0 109.588 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.12 -33.73 16.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 10.0 109.262 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.33 66.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 10.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -88.13 -52.52 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 10.0 109.645 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -41.04 -29.35 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 10.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 20' ' ' HIS . 2.8 mt-10 -49.32 -51.2 35.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.168 . . . . 10.0 110.307 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.24 -40.5 10.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 10.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.687 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 6.2 mp -68.69 -105.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 10.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.526 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 133.83 40.19 0.19 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 10.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 61.83 -77.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 25' ' ' GLY . 7.2 m-20 -38.35 -41.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 10.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.687 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -39.38 -38.13 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 10.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.427 ' SG ' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -111.8 -59.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 10.0 108.242 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 73.5 m-70 -68.02 -162.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 10.0 109.607 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -166.67 95.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 10.0 110.374 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.36 96.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.535 1.147 . . . . 10.0 111.013 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.7 m 68.39 104.82 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 10.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.459 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.5 Cg_endo -75.0 -172.99 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.585 1.834 . . . . 10.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -176.14 -52.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 10.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -179.88 -177.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 10.0 109.322 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 36' ' ' LYS . 23.3 mt -154.33 142.81 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 10.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.474 ' HB3' ' HB2' ' A' ' 43' ' ' SER . . . -70.98 94.44 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 10.0 109.294 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.478 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 32.3 mm -116.86 110.65 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 10.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -172.56 -70.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 10.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -167.3 65.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 10.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.58 -72.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 10.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.8 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -77.51 -35.08 53.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 10.0 109.993 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 39' ' ' ILE . . . -62.45 -11.76 17.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 10.0 109.237 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -122.2 7.63 9.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 10.0 109.576 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 47' ' ' ASP . 16.6 mtpt -137.18 -119.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 10.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.508 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -37.2 -71.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.399 1.062 . . . . 10.0 109.259 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -31.82 -76.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 51' ' ' THR . 62.1 m -91.26 -132.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 10.0 108.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' CYS . 1.6 mmtt 37.32 32.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 10.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 52' ' ' CYS . 10.9 t -152.53 166.21 32.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 10.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.616 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 10.9 t 34.82 71.9 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 10.0 108.294 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 6.7 m-70 178.69 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 10.0 109.634 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.925 ' HA ' HG21 ' A' ' 60' ' ' THR . 25.1 mtmt -40.17 -31.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 10.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -111.76 -66.46 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.075 . . . . 10.0 109.963 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -53.73 157.57 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 10.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.26 -71.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 10.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 132.31 -69.07 0.54 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.491 1.119 . . . . 10.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 121.0 6.3 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.522 1.801 . . . . 10.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.925 HG21 ' HA ' ' A' ' 54' ' ' LYS . 80.8 p -115.48 -39.87 3.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 10.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -73.12 -149.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 10.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.19 168.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 10.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 49.85 31.28 16.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.432 1.083 . . . . 10.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.78 -62.15 0.65 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.923 -0.871 . . . . 10.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 p -108.64 -51.89 2.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.262 -1.014 . . . . 10.0 108.262 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -51.91 135.1 30.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 10.0 109.564 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.1 mt -89.24 94.84 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 10.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 10.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.3 t -141.58 144.57 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 10.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.522 ' HB ' ' CD1' ' A' ' 15' ' ' PHE . 4.8 t -136.29 57.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 10.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.3 m -69.68 103.27 2.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 10.0 110.347 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.478 ' HB2' HG22 ' A' ' 13' ' ' VAL . 46.6 m-85 -81.9 119.95 24.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 10.0 111.085 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -97.53 128.67 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 10.0 110.352 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -136.28 177.33 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 10.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -19.46 52.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.48 52.27 0.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 10.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.65 -141.7 15.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 10.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.3 p30 174.01 128.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 10.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.478 HG22 ' HB2' ' A' ' 6' ' ' TYR . 2.8 m -85.92 132.0 33.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 10.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.638 ' O ' HG22 ' A' ' 14' ' ' THR . 18.0 m -89.04 38.85 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 10.0 110.317 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.522 ' CD1' ' HB ' ' A' ' 4' ' ' VAL . 20.2 t80 -43.93 155.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 10.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.753 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 3.6 m-20 -141.22 150.68 42.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -109.99 -52.01 2.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 10.0 109.642 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.04 -37.13 13.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 10.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.753 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -67.79 -24.45 65.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 10.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -88.52 -48.6 7.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 10.0 109.625 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.78 -53.99 10.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 10.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -50.92 -21.4 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 10.0 110.327 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.652 ' C ' HD23 ' A' ' 24' ' ' LEU . 15.9 mmmt -102.16 -28.5 12.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 10.0 109.233 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.714 HD23 ' N ' ' A' ' 24' ' ' LEU . 1.4 mt -97.72 -121.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 10.0 109.369 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 174.15 35.34 0.04 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.476 1.11 . . . . 10.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.463 ' C ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 61.85 -74.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -42.88 -26.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 10.0 109.379 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.529 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -56.65 -39.76 74.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 10.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' CYS . 61.6 m -105.81 -51.49 2.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 10.0 108.272 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 27' ' ' ASP . 37.4 m-70 -91.52 -172.76 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 10.0 109.572 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 175.48 111.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 10.0 110.299 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.76 -62.14 0.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.108 . . . . 10.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -160.68 113.77 1.35 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 10.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.97 5.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 10.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -129.98 -44.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 10.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -179.92 158.6 0.77 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 10.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 37' ' ' ILE . 17.1 mt -121.85 -0.43 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 10.0 109.355 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 48.34 96.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 10.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.619 HD12 ' HB2' ' A' ' 44' ' ' ALA . 18.0 mm -119.48 135.84 58.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 10.0 109.236 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.96 -69.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.082 . . . . 10.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -178.4 52.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.505 1.128 . . . . 10.0 109.353 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.94 -79.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 10.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.77 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -50.74 -49.4 57.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 10.0 110.023 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.619 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -57.23 -17.11 10.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 10.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -101.02 0.74 38.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 10.0 109.544 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -109.53 -157.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 10.0 109.231 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.8 OUTLIER -47.97 -29.65 3.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 10.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.12 -61.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 10.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 51' ' ' THR . 88.7 m -122.51 -102.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 10.0 108.362 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER 35.51 -93.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 10.0 109.308 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.558 ' N ' ' O ' ' A' ' 49' ' ' CYS . 37.5 p -39.82 -66.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 38.1 t -49.73 95.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 10.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.538 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER 160.29 -29.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 10.0 109.615 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -76.65 55.95 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 10.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.4 t -137.04 -69.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 10.0 109.984 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -87.2 -64.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 10.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -87.8 -178.65 6.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.39 65.34 0.53 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.434 1.084 . . . . 10.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 54.55 3.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 10.0 111.01 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.5 m -65.38 -61.7 1.96 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 10.0 110.459 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 62' ' ' CYS . 1.8 ptmt -75.86 153.52 36.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 10.0 109.364 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 64' ' ' GLY . 83.6 m -41.62 -53.01 3.66 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.464 1.103 . . . . 10.0 108.216 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 62' ' ' CYS . . . -36.78 -32.07 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.137 . . . . 10.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -47.55 -75.61 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.923 -0.871 . . . . 10.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 9.1 m -76.78 -58.09 3.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.247 -1.02 . . . . 10.0 108.247 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' LYS . 30.5 m-70 -78.05 91.08 4.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 10.0 109.588 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.6 mm -56.66 90.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.441 1.088 . . . . 10.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 66' ' ' HIS . 5.9 mmtp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 10.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.411 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 40.5 t 70.05 127.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.395 1.059 . . . . 10.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.494 HG11 ' CE2' ' A' ' 6' ' ' TYR . 85.0 t -122.8 152.56 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 10.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -118.16 114.83 23.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 10.0 110.358 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.494 ' CE2' HG11 ' A' ' 4' ' ' VAL . 29.3 m-85 -116.89 80.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 10.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.34 139.03 58.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 10.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -138.25 160.96 38.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 10.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.97 -59.69 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 10.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.82 -79.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 10.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.4 -85.56 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.567 1.167 . . . . 10.0 110.977 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 179.05 135.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 10.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 p -114.45 45.6 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 10.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 m -42.51 120.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -77.11 177.19 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.369 1.043 . . . . 10.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.564 ' HB2' ' CD2' ' A' ' 20' ' ' HIS . 11.9 m-20 -143.79 126.58 16.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.366 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 2.1 t-80 -122.34 -62.47 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 10.0 109.646 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -27.28 39.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 10.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -80.94 -22.08 39.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 10.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.618 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -99.46 -43.22 6.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 10.0 109.573 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 17' ' ' HIS . . . -62.71 -12.34 23.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 10.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -72.45 -26.14 61.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.069 . . . . 10.0 110.307 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -118.83 -41.12 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 10.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.7 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 10.0 mp -57.31 -79.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.439 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 120.56 16.14 4.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 10.0 111.033 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.7 OUTLIER 76.05 -61.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.276 -1.009 . . . . 10.0 108.276 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -45.87 -26.43 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 10.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.7 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -60.37 -38.68 84.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 10.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' CYS . 19.0 m -104.25 -54.56 2.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 10.0 108.333 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' CYS . 43.1 m80 -89.79 -174.64 4.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 10.0 109.579 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -176.38 100.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 10.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.48 87.53 0.2 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.413 1.071 . . . . 10.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.4 m 70.94 103.93 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 10.0 110.389 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 168.11 25.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 10.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -172.92 172.76 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 10.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -65.09 108.94 2.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 10.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 38' ' ' ALA . 82.7 mt -72.3 164.64 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 10.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.49 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -99.57 91.44 4.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 10.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.404 HG23 ' HB2' ' A' ' 44' ' ' ALA . 2.6 mm -105.67 138.41 30.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.14 . . . . 10.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER 176.8 173.58 0.42 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 10.0 109.329 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 59.78 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 10.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -157.41 -52.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 10.0 109.346 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.775 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -103.23 -36.37 8.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 10.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.404 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -54.94 -18.94 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 109.308 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -101.4 7.42 42.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 10.0 109.569 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -119.13 -161.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 0.7 OUTLIER -41.41 -29.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 10.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.91 -53.77 2.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 10.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.9 m -121.62 -53.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 10.0 108.273 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' O ' ' C ' ' A' ' 51' ' ' THR . 4.8 mttt -33.56 -78.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 10.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.577 HG22 ' N ' ' A' ' 52' ' ' CYS . 1.2 m -27.2 -85.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 10.0 110.384 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.577 ' N ' HG22 ' A' ' 51' ' ' THR . 9.0 t -61.42 83.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 10.0 108.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.486 ' HB3' ' CG ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER 166.97 -39.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 10.0 109.62 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -83.39 69.79 10.07 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 10.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.35 -54.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 10.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.4 -66.29 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 10.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -67.36 -78.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 10.0 109.268 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.89 79.04 1.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.429 1.08 . . . . 10.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.01 7.72 2.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.506 1.793 . . . . 10.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.506 ' C ' ' O ' ' A' ' 59' ' ' PRO . 32.2 m -30.28 -64.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 10.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -65.48 144.23 57.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 10.0 109.356 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 61.7 m -50.39 -43.55 54.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 10.0 108.282 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.71 -21.0 4.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.411 1.07 . . . . 10.0 111.016 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' A' ' 59' ' ' PRO . . . -60.86 -74.05 0.42 Allowed Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.045 -0.822 . . . . 10.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.56 -61.83 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.234 -1.024 . . . . 10.0 108.234 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -80.0 90.97 5.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 10.0 109.577 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.474 ' H ' HD12 ' A' ' 67' ' ' ILE . 3.8 mp -49.7 103.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 109.231 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tttt . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 10.0 109.343 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 15' ' ' PHE . 65.7 t 66.51 91.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 10.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 5' ' ' THR . 29.5 t -76.71 170.01 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.385 1.053 . . . . 10.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.532 ' N ' HG12 ' A' ' 4' ' ' VAL . 4.3 m -142.06 110.27 5.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.557 1.161 . . . . 10.0 110.369 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -109.64 82.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 10.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.88 134.18 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 10.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 11' ' ' GLY . 25.0 p30 -149.75 -171.52 3.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 10.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -34.2 14.22 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 10.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -86.43 51.65 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 10.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.462 ' O ' ' ND2' ' A' ' 8' ' ' ASN . . . 64.64 135.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.445 1.091 . . . . 10.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.61 140.32 56.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 10.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 13' ' ' VAL . 5.6 p -104.17 57.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 10.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' VAL . 4.0 m -37.54 111.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 10.0 110.431 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.58 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.8 t80 -81.19 171.3 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.503 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 4.9 m-20 -137.94 122.2 18.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 10.0 109.311 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -113.3 -47.61 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 10.0 109.551 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -87.11 -58.59 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 10.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.1 -29.8 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 10.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.503 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -75.85 -50.47 15.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 10.0 109.605 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.23 71.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 10.0 109.26 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -46.12 -44.27 15.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 10.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -104.27 -30.4 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 10.0 109.227 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 20' ' ' HIS . 1.7 mp -93.94 -115.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 10.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 164.42 -161.98 34.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 10.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -100.58 -27.96 13.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.361 -0.977 . . . . 10.0 108.361 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.37 -13.26 59.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 10.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.82 -48.69 65.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 10.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.5 m -103.07 -42.05 5.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 10.0 108.31 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.528 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 1.7 m80 -102.23 -142.88 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 10.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.68 -160.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 10.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.23 -22.08 3.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 10.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.1 m -150.98 106.84 3.02 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 10.0 110.354 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.5 Cg_endo -74.93 -163.17 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 10.0 111.088 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 179.55 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 10.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -179.69 171.77 1.17 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 10.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.0 mt -146.13 145.4 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 10.0 109.298 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.18 109.9 20.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 10.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 mm -118.21 139.28 46.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 10.0 109.228 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 42' ' ' LYS . 19.9 p-10 175.83 160.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 10.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.34 70.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 10.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -170.48 -51.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 10.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.614 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 6.0 m -103.76 -34.97 8.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 10.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.91 -16.98 20.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 10.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -100.21 -1.42 36.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 10.0 109.555 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.14 -155.61 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 10.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.43 -23.89 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 10.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -41.03 -65.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 10.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.84 -70.58 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 10.0 108.286 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.46 100.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 10.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 179.91 -42.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.07 . . . . 10.0 110.361 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.45 -47.58 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 10.0 108.297 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 55' ' ' SER . 1.5 m-70 -41.4 -54.79 2.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 10.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.87 79.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 10.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' HIS . 3.0 t 174.97 -34.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 10.0 110.016 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -136.78 171.71 14.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 10.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -50.95 121.52 6.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 10.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 173.69 179.78 44.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 10.0 111.075 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.424 ' HD2' ' CD2' ' A' ' 53' ' ' HIS . 18.4 Cg_endo -74.96 117.74 5.02 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.519 1.799 . . . . 10.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 m -119.29 -52.85 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 1.182 . . . . 10.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -111.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 37.9 t -138.32 -54.7 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 10.0 108.295 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.9 58.93 0.75 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 10.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.56 -52.34 0.07 OUTLIER Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 71.3 m -81.75 -55.2 4.78 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.258 -1.015 . . . . 10.0 108.258 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -80.98 119.66 23.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 10.0 109.647 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.5 mt -100.39 119.33 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 10.0 109.283 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 10.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.442 ' HA ' ' HB2' ' A' ' 18' ' ' LYS . 3.6 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.9 172.75 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 10.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 4' ' ' VAL . 24.5 t -142.13 72.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 10.0 109.346 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.5 m -43.96 155.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 10.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.485 ' CD2' ' CE1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -161.75 38.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 10.0 111.026 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.39 160.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 10.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.05 158.16 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 109.317 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -60.16 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 10.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.92 -72.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 10.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.01 -102.92 0.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 10.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -178.18 141.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 0.725 . . . . 10.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 13' ' ' VAL . 8.7 p -127.64 64.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 10.0 109.304 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -58.25 116.69 3.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 10.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.485 ' CE1' ' CD2' ' A' ' 6' ' ' TYR . 10.4 m-85 -76.25 -172.34 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 10.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.928 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -154.64 116.45 4.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 10.0 109.349 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -94.52 -54.58 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 10.0 109.582 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -83.08 -41.25 18.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 10.0 109.298 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.928 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -53.93 -29.25 41.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.648 ' HB3' HD13 ' A' ' 24' ' ' LEU . 12.5 m170 -98.06 -64.75 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 10.0 109.601 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -37.02 -38.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 10.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.01 -38.8 3.72 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 10.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.596 ' HG3' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -110.07 -55.98 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 10.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 20' ' ' HIS . 9.2 mp -39.21 -78.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 10.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 121.53 10.4 6.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 10.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.453 ' SG ' ' C ' ' A' ' 25' ' ' GLY . 1.8 m 81.79 -53.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.241 -1.022 . . . . 10.0 108.241 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -68.61 60.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 10.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -135.4 -49.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 10.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.94 -17.27 12.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.075 . . . . 10.0 108.267 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -100.62 -172.9 2.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 10.0 109.664 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.88 116.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 10.0 110.25 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.07 95.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 10.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.4 m 67.37 104.45 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 10.0 110.411 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 124.59 8.73 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.801 . . . . 10.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.79 168.17 20.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 10.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.6 116.06 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 10.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.0 mt -83.58 145.01 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 10.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.35 86.28 3.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 10.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.494 HG23 ' HB2' ' A' ' 44' ' ' ALA . 6.6 mm -104.46 141.76 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 10.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 42' ' ' LYS . 4.3 p-10 171.56 165.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 10.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 42' ' ' LYS . 3.4 ttpt -55.0 86.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 10.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER 176.9 -53.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 10.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.725 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -105.67 -36.8 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 10.0 109.985 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.494 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -56.19 -18.65 10.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -97.96 3.61 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.618 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.463 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -114.75 -164.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 10.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.507 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 4.6 t0 -40.89 -28.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 10.0 109.338 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -38.09 -57.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 10.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' LYS . 92.8 m -122.45 -50.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 10.0 108.31 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' CYS . 1.4 mmtp -34.13 -73.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 10.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.507 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 1.4 m -34.71 -80.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 10.0 110.384 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 8.9 t -59.42 101.09 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 10.0 108.255 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 59' ' ' PRO . 0.6 OUTLIER 160.38 -45.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 10.0 109.607 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -75.18 59.03 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 10.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -131.28 -52.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 10.0 110.009 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -106.0 -66.83 0.97 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.51 1.131 . . . . 10.0 109.321 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -101.24 -59.22 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 10.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.32 69.3 1.41 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 10.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.553 ' HG2' ' CE1' ' A' ' 53' ' ' HIS . 18.4 Cg_endo -75.05 56.38 4.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.783 . . . . 10.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.6 p -110.39 63.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 10.0 110.422 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 63' ' ' GLY . 4.4 pttt -159.87 43.71 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 10.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 68.25 -73.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 10.0 108.27 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -49.15 -23.26 3.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 10.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.94 -74.29 0.34 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.037 -0.825 . . . . 10.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -91.69 -68.36 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.271 -1.011 . . . . 10.0 108.271 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -51.9 150.01 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 10.0 109.629 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.1 mm -123.45 138.85 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 10.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 10.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.813 ' O ' HG23 ' A' ' 3' ' ' VAL . 2.6 p-10 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 2' ' ' ASP . 2.3 t -164.81 142.34 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 10.0 109.36 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 4' ' ' VAL . 89.0 t -130.88 70.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 10.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 m -74.93 93.67 2.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 10.0 110.433 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.465 ' HB2' HG22 ' A' ' 13' ' ' VAL . 23.3 m-85 -65.49 120.34 12.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 10.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -100.22 113.96 27.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 10.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -125.94 -175.25 3.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 10.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -101.6 38.54 1.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 10.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.85 -64.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 10.0 109.368 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 12' ' ' ASN . . . -152.83 -44.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.523 1.139 . . . . 10.0 110.981 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER 82.44 120.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 0.785 . . . . 10.0 109.261 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 6' ' ' TYR . 5.5 m -91.18 136.22 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 10.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.613 ' O ' HG22 ' A' ' 14' ' ' THR . 12.8 m -92.19 50.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 110.415 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -42.49 166.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 10.0 110.989 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.834 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 3.6 m-20 -149.74 129.63 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 10.0 109.242 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.0 -45.96 5.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.379 1.049 . . . . 10.0 109.573 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -32.5 21.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 10.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.834 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -69.76 -33.48 72.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 10.0 109.232 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.453 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -85.36 -57.3 3.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 10.0 109.608 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 22' ' ' GLU . . . -39.99 -59.95 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 21' ' ' ALA . 17.5 pt-20 -33.44 -39.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 10.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -96.43 -64.32 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 10.0 109.342 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.682 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 8.3 mp -45.45 -79.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 10.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.439 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 121.03 15.12 4.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.379 1.049 . . . . 10.0 110.959 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.0 OUTLIER 77.14 -63.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.254 -1.017 . . . . 10.0 108.254 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -44.66 -25.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 10.0 109.209 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.682 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -58.95 -43.49 91.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 10.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 26' ' ' CYS . 33.4 m -102.66 -50.15 3.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 10.0 108.315 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 36.3 m-70 -99.65 -151.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 10.0 109.638 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' CG ' ' N ' ' A' ' 32' ' ' GLY . 1.2 pt-20 -156.35 -142.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 110.27 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.439 ' N ' ' CG ' ' A' ' 31' ' ' GLU . . . -54.89 -28.76 48.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 10.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -143.22 106.87 5.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 10.0 110.365 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.658 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -75.04 -172.74 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.533 1.807 . . . . 10.0 111.053 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 166.48 166.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 10.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -65.32 110.51 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 10.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.9 mt -82.52 -11.21 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 10.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 60.4 90.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 10.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.879 HG23 ' HB2' ' A' ' 44' ' ' ALA . 4.8 mm -98.04 125.06 51.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 10.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.2 m-20 155.33 154.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 10.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 40' ' ' ASP . 14.0 mttm 82.21 -150.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 10.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.25 50.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 10.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.712 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 49.1 m -128.49 -60.66 1.11 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 10.0 109.987 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.879 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -56.61 -17.88 10.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 10.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -96.52 -0.71 48.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 10.0 109.638 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 48' ' ' ALA . 6.5 mttt -109.0 -163.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.477 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 8.9 p-10 -45.21 -24.46 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 10.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.712 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.48 -53.98 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 10.0 109.339 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.507 ' O ' ' C ' ' A' ' 50' ' ' LYS . 69.7 m -125.38 -53.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 10.0 108.313 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 49' ' ' CYS . 1.2 mttt -32.25 -71.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.603 1.189 . . . . 10.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.477 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 1.2 m -35.44 -70.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 10.0 110.418 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 1.1 t -75.49 81.76 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 10.0 108.314 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.45 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER 166.41 -31.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 10.0 109.659 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -61.1 -45.17 95.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 10.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 99.8 p -92.07 43.56 1.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 10.0 110.018 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.92 -172.7 2.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -124.72 122.09 36.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.12 -125.91 4.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.561 1.163 . . . . 10.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.484 ' C ' HG22 ' A' ' 60' ' ' THR . 18.3 Cg_endo -74.92 143.67 29.61 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.447 1.761 . . . . 10.0 111.042 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.484 HG22 ' C ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER 170.58 -31.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 10.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 63' ' ' GLY . 30.6 pttt -79.98 52.92 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 10.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 64' ' ' GLY . 44.6 t 64.88 -75.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 10.0 108.349 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -67.22 60.66 0.24 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.545 1.153 . . . . 10.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.476 ' CA ' ' HB3' ' A' ' 59' ' ' PRO . . . -129.84 -53.61 0.1 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.972 -0.851 . . . . 10.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.64 -41.87 20.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.334 -0.987 . . . . 10.0 108.334 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -95.98 94.42 7.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 10.0 109.686 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 tt -67.39 178.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 10.0 109.226 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 10.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 3' ' ' VAL . 7.5 p -174.03 74.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 10.0 109.317 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.1 t -56.63 157.43 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 10.0 109.263 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -135.71 125.41 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 10.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -124.26 88.38 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.428 1.08 . . . . 10.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.06 134.72 36.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 2.8 p30 -134.53 -176.33 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 10.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -62.65 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 10.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.17 -86.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 10.0 109.371 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -148.96 122.95 1.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.573 1.171 . . . . 10.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -45.28 146.79 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 0.722 . . . . 10.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 13' ' ' VAL . 13.0 p -125.66 52.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 10.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -47.92 116.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 10.0 110.416 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.723 ' CZ ' HG21 ' A' ' 39' ' ' ILE . 61.3 m-85 -75.18 -172.15 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 10.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.505 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 56.0 m-20 -149.65 125.28 10.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 10.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.59 -63.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 10.0 109.562 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.54 -47.69 18.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 10.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.508 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -58.12 -27.49 63.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 10.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.505 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -90.38 -53.49 4.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.557 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 23' ' ' LYS . . . -42.17 -50.01 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 10.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -41.67 -27.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 21' ' ' ALA . 15.5 mmtm -106.11 -54.81 2.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 10.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.598 HD23 ' CB ' ' A' ' 28' ' ' ALA . 6.0 mp -61.32 -106.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 10.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.528 ' O ' ' CB ' ' A' ' 26' ' ' CYS . . . 158.51 -47.15 0.44 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.451 1.094 . . . . 10.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.3 m 156.45 -66.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.327 -0.99 . . . . 10.0 108.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.454 ' HA ' ' O ' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -41.07 -28.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 10.0 109.351 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.598 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -39.47 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 10.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -100.52 -22.02 15.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.454 ' O ' ' HA ' ' A' ' 27' ' ' ASP . 86.2 m-70 -107.11 -160.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 10.0 109.608 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -148.81 -149.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 10.0 110.268 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.77 -18.95 54.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 10.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.3 m -154.84 109.13 2.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 10.0 110.438 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.564 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -74.97 -163.63 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 10.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 171.34 -57.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 10.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.07 156.56 1.04 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 10.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 29' ' ' CYS . 36.3 mt -130.16 146.05 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 10.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.5 106.72 19.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 10.0 109.292 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.723 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 8.1 mm -116.16 121.27 67.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 10.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.53 172.18 12.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 10.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -70.37 60.43 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 10.0 109.366 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.32 -49.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 10.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.755 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -107.62 -36.45 6.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.596 1.185 . . . . 10.0 110.03 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.505 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -56.32 -18.43 10.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 10.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -99.64 5.58 45.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 10.0 109.64 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 48' ' ' ALA . 1.3 mmtt -116.77 -165.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 10.0 109.278 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.484 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 73.0 m-20 -39.46 -29.49 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 10.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.52 -57.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.179 . . . . 10.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 50' ' ' LYS . 57.3 m -120.42 -51.59 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 10.0 108.351 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -33.74 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 10.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.484 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 1.5 m -32.92 -75.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 10.0 110.35 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 2.6 t -71.62 85.53 0.89 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 10.0 108.335 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.473 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER 165.19 -46.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 10.0 109.613 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.18 67.77 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 10.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.7 t -173.39 -60.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 10.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -88.68 -177.66 5.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 10.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -59.84 104.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 10.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.61 -155.43 8.2 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 10.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 162.78 36.54 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.447 1.762 . . . . 10.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 178.99 -35.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 10.0 110.361 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -91.41 36.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 10.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.6 t 41.98 87.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 108.323 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.23 -31.71 0.65 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.608 1.192 . . . . 10.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.24 -35.81 3.87 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.36 -45.03 8.0 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.337 -0.986 . . . . 10.0 108.337 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -97.12 102.61 14.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.407 1.067 . . . . 10.0 109.638 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 mt -70.9 96.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.6 tptt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 10.0 109.286 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 t0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 15' ' ' PHE . 14.4 p -164.98 146.68 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 10.0 109.241 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 4' ' ' VAL . 56.0 t -137.04 64.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.421 1.075 . . . . 10.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.699 ' OG1' HG23 ' A' ' 14' ' ' THR . 17.2 m -61.19 153.8 25.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 10.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -134.3 168.29 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 10.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -122.34 120.13 33.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 10.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -106.82 178.67 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 10.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -41.1 17.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 10.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.48 51.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.396 1.06 . . . . 10.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.93 -153.85 16.63 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.429 1.08 . . . . 10.0 110.96 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -151.66 131.85 13.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 10.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.08 126.89 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 10.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.699 HG23 ' OG1' ' A' ' 5' ' ' THR . 19.9 m -101.4 133.32 46.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 10.0 110.357 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.463 ' O ' HG23 ' A' ' 3' ' ' VAL . 7.1 m-85 -98.06 -178.57 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 10.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.978 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 62.9 m-20 -156.55 111.03 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 10.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -92.59 -49.33 6.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 10.0 109.623 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -44.82 12.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 10.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.978 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -52.41 -29.14 22.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 10.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 0.6 OUTLIER -94.27 -57.43 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 10.0 109.558 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -40.65 -50.9 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 10.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -38.03 -30.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 10.0 110.376 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -102.36 -53.51 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 10.0 109.287 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.992 HD23 ' HB3' ' A' ' 28' ' ' ALA . 5.4 mp -65.23 -102.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 10.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 26' ' ' CYS . . . 130.51 43.32 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 10.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.471 ' O ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 51.37 102.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.356 -0.979 . . . . 10.0 108.356 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 163.41 -29.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.992 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -74.25 -27.06 60.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 10.0 109.353 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.2 m -113.75 -47.92 2.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 10.0 108.326 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.442 ' CE1' HD11 ' A' ' 37' ' ' ILE . 16.9 m-70 -99.92 178.67 4.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 10.0 109.635 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 170.88 74.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 10.0 110.257 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.7 -48.78 0.95 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 10.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.7 m -147.35 106.5 3.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.736 . . . . 10.0 110.449 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 86.17 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.57 1.826 . . . . 10.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.31 179.77 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 10.0 109.351 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -70.6 113.14 7.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 30' ' ' HIS . 41.0 mt -76.07 159.95 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 10.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -99.82 91.92 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.792 HG23 ' HB2' ' A' ' 44' ' ' ALA . 11.1 mm -104.29 133.03 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 10.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER 173.15 163.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 10.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -31.69 134.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 10.0 109.257 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 13.9 tttm 91.29 -68.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -57.12 -65.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 10.0 109.97 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.792 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -55.23 -18.0 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 10.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -95.17 8.43 43.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 10.0 109.638 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' SER . 7.0 ttpt -120.5 -149.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 10.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -39.68 -43.65 1.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -32.26 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 10.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.584 ' O ' ' N ' ' A' ' 51' ' ' THR . 85.7 m -107.91 -104.01 0.35 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 10.0 108.313 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER 39.48 -90.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 10.0 109.334 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.584 ' N ' ' O ' ' A' ' 49' ' ' CYS . 7.7 t -38.88 -53.41 1.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 10.0 110.361 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.508 ' N ' ' CG2' ' A' ' 51' ' ' THR . 0.0 OUTLIER -53.89 165.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 10.0 108.282 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 55' ' ' SER . 35.9 m80 72.32 -58.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.599 1.187 . . . . 10.0 109.508 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -62.98 77.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER 177.08 -50.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 10.0 110.011 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -99.08 -73.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 10.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.446 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 7.5 t-20 -179.93 160.46 0.89 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.525 1.141 . . . . 10.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.446 ' N ' ' CG ' ' A' ' 57' ' ' ASN . . . 127.89 -132.96 7.62 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 10.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 18.3 Cg_endo -75.02 110.51 3.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 10.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t -129.8 -43.9 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 10.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -61.5 -119.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 10.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 18.1 t -102.22 -76.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 10.0 108.357 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . -60.05 -82.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 10.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.19 -60.28 0.09 OUTLIER Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER -86.03 -54.16 4.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -63.14 129.79 41.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.109 . . . . 10.0 109.564 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.4 mm -87.45 75.26 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 10.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.7 pttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 10.0 109.31 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.513 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.735 HG12 ' O ' ' A' ' 3' ' ' VAL . 4.5 t 65.97 76.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 10.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 5' ' ' THR . 5.1 t -98.92 163.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 10.0 109.218 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.495 ' N ' ' CG1' ' A' ' 4' ' ' VAL . 5.3 m -143.57 93.48 2.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 10.0 110.367 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.666 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 24.3 m-85 -68.95 161.29 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 10.0 111.006 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' ASN . 11.4 mt-10 -139.91 41.66 1.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 10.0 110.37 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 7' ' ' GLU . 9.4 p30 -47.38 173.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 10.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -90.76 18.05 6.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 10.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.79 51.16 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 10.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.02 -132.32 10.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 10.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -175.16 146.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 10.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CE1' ' A' ' 15' ' ' PHE . 4.3 p -131.9 91.28 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 10.0 109.388 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -68.15 130.29 42.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 10.0 110.398 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.666 ' CE1' ' CD1' ' A' ' 6' ' ' TYR . 5.5 m-85 -97.89 165.62 11.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 10.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.608 ' CB ' ' CG ' ' A' ' 20' ' ' HIS . 30.9 m-20 -140.17 121.97 15.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 10.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.513 ' HB3' ' N ' ' A' ' 2' ' ' ASP . 6.0 t-80 -128.93 -63.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 10.0 109.609 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -38.05 89.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 10.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.79 -44.92 19.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 10.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.631 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.88 -46.06 86.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 10.0 109.608 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -42.94 -57.23 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 10.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -45.2 -25.56 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 10.0 110.25 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' HIS . 5.6 tttt -106.77 -76.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 10.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.639 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 9.1 mp -34.69 -86.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 10.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 124.36 31.68 0.89 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.458 1.098 . . . . 10.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.481 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 65.1 -75.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.355 -0.98 . . . . 10.0 108.355 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' GLY . 5.2 m-20 -34.56 -40.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 10.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.639 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -39.97 -38.74 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 10.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 26' ' ' CYS . 1.8 m -111.35 -60.02 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 10.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.529 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 7.2 m80 -84.57 -159.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 10.0 109.679 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 30' ' ' HIS . 1.2 tt0 172.52 118.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 10.0 110.27 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.03 -58.52 5.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 10.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.1 m -148.81 108.34 3.5 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 10.0 110.424 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.529 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.3 Cg_endo -74.97 160.4 40.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 10.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -178.08 162.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 10.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.62 125.07 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 10.0 109.32 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.523 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 45.3 mt -95.76 -10.65 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 37' ' ' ILE . . . 73.07 100.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 10.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.628 HG21 ' CE2' ' A' ' 15' ' ' PHE . 20.1 mm -116.19 129.63 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 10.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -160.08 -75.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 10.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.85 76.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 10.0 109.351 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 173.76 -68.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 10.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.645 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -67.65 -43.91 79.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 10.0 109.957 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.453 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -58.3 -17.16 17.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 10.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -98.6 -2.12 39.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 10.0 109.639 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -104.2 -161.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 10.0 109.356 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 48' ' ' ALA . 9.8 t70 -41.53 -28.84 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 10.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.57 -70.29 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 10.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -102.74 -64.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 10.0 108.315 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -54.64 90.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 10.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER 176.54 -59.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 10.0 110.422 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -88.83 -52.5 5.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 10.0 108.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -40.82 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 10.0 109.642 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -78.13 80.76 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 10.0 109.229 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.05 -46.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 110.0 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -104.99 -87.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 10.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -53.47 -33.49 54.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 10.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' HD3' ' A' ' 59' ' ' PRO . . . 59.65 62.89 5.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.466 1.104 . . . . 10.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.0 1.26 7.94 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.787 . . . . 10.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' PRO . 3.3 m -37.2 -69.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 10.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.63 136.96 54.6 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 10.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -41.69 153.99 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 10.0 108.256 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.63 -24.69 26.72 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 10.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.2 -44.25 89.0 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 59.7 m -113.75 -63.23 1.48 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.277 -1.008 . . . . 10.0 108.277 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -77.12 100.81 5.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 10.0 109.577 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 67' ' ' ILE . 8.9 mt -89.06 66.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 10.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.17 . . . . 10.0 109.295 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' A' ' 18' ' ' LYS . 9.9 t0 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 15' ' ' PHE . 7.7 p -135.46 123.16 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.416 HG12 ' CE2' ' A' ' 6' ' ' TYR . 22.8 t -106.81 79.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 10.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -75.96 117.67 17.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 10.0 110.373 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.477 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 10.2 m-85 -111.94 104.22 12.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 10.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -60.35 117.4 5.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 10.0 110.364 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -98.6 -176.06 3.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 10.0 109.234 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -58.92 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 10.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -114.39 64.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.74 -170.19 31.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 10.0 111.054 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.31 106.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 10.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 6' ' ' TYR . 8.3 p -85.3 123.07 39.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 10.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.509 ' O ' HG22 ' A' ' 14' ' ' THR . 19.5 m -103.25 58.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 10.0 110.437 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.609 ' O ' HG23 ' A' ' 3' ' ' VAL . 0.9 OUTLIER -45.48 164.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 10.0 111.017 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.702 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 45.5 m-20 -138.79 133.99 32.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 10.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -107.43 -42.61 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 10.0 109.61 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.482 ' CB ' ' HA ' ' A' ' 2' ' ' ASP . 26.1 tttm -99.33 -28.48 13.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 10.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.702 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -72.47 -31.4 65.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 10.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.522 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -87.38 -53.07 5.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 10.0 109.649 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -38.39 -31.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 10.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' HIS . 2.4 mt-10 -53.21 -55.08 27.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 10.0 110.33 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' HIS . 6.9 mmtp -86.86 -54.9 4.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 10.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.661 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 7.2 mp -48.97 -82.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 118.89 21.55 3.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 10.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 m 69.41 -67.2 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.308 -0.997 . . . . 10.0 108.308 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' GLY . 4.9 m-20 -44.85 -29.53 0.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 10.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.661 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -53.14 -36.5 60.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 10.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.1 m -110.43 -56.37 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 10.0 108.296 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -84.21 -176.72 6.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 10.0 109.675 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.2 101.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 10.0 110.294 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.04 87.93 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 10.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.4 m 71.69 104.27 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.493 0.761 . . . . 10.0 110.42 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 165.5 31.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 10.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -166.31 -174.08 2.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 10.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 1.4 pttt -83.3 105.47 14.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 10.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 38' ' ' ALA . 46.2 mt -75.99 166.81 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 10.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.51 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -60.05 -118.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 10.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.777 HG23 ' HB2' ' A' ' 44' ' ' ALA . 0.9 OUTLIER 69.06 136.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 10.0 109.364 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER 162.22 -51.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 10.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' A' ' 43' ' ' SER . 15.5 mttt -135.06 -131.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 10.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -39.55 -30.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 10.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.77 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 5.3 m -55.63 -61.76 2.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.494 1.121 . . . . 10.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.777 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -58.48 -15.52 11.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 10.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -95.96 -3.85 44.37 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 10.0 109.598 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.7 -164.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 10.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.9 OUTLIER -46.61 -25.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 10.0 109.34 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.96 -56.19 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 10.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' THR . 4.4 t -108.56 -70.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 10.0 108.375 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -46.13 97.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 10.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.6 OUTLIER -178.14 -44.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 10.0 110.385 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.6 t -121.26 59.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 10.0 108.281 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -146.3 -45.48 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 10.0 109.623 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.33 77.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 10.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -164.86 -55.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 10.0 110.03 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -117.18 -60.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 10.0 109.233 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.64 -66.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 10.0 109.378 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 54.07 100.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.516 1.135 . . . . 10.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 61' ' ' LYS . 18.2 Cg_endo -75.06 -93.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 10.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.5 m 69.09 -57.63 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 10.0 110.473 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 59' ' ' PRO . 7.8 mttt -74.85 -0.32 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 10.0 109.229 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.436 ' C ' ' N ' ' A' ' 64' ' ' GLY . 0.1 OUTLIER 82.83 -53.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 10.0 108.255 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 64' ' ' GLY . . . -40.68 -26.64 0.14 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 10.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 62' ' ' CYS . . . -35.35 -65.81 0.41 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.018 -0.833 . . . . 10.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.1 p -117.84 -53.86 2.37 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.248 -1.019 . . . . 10.0 108.248 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.62 114.45 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 10.0 109.619 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.597 HG23 ' O ' ' A' ' 67' ' ' ILE . 13.7 tt -55.34 102.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 10.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 10.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 42.0 t 66.49 110.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 10.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.49 HG11 ' HE1' ' A' ' 6' ' ' TYR . 46.6 t -131.47 159.69 42.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 10.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 ' OG1' ' A' ' 14' ' ' THR . 93.5 m -131.65 117.88 19.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 10.0 110.429 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.49 ' HE1' HG11 ' A' ' 4' ' ' VAL . 3.3 m-85 -106.62 98.73 8.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 10.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.23 111.93 13.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 10.0 110.243 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -110.8 175.31 5.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 10.0 109.251 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -79.08 -44.87 21.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 10.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -91.59 52.07 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 10.0 109.225 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.99 -138.48 14.48 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 10.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 176.64 135.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 10.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p -107.67 120.21 58.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 109.305 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.498 ' OG1' HG23 ' A' ' 5' ' ' THR . 22.5 m -105.39 107.37 18.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 10.0 110.394 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.707 ' CE2' HG21 ' A' ' 39' ' ' ILE . 3.5 m-30 -67.52 154.58 41.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 10.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.569 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 1.2 m-20 -131.26 113.66 14.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 10.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -117.83 -63.04 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 10.0 109.564 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.8 OUTLIER -67.3 -46.81 72.46 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 10.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.36 -39.2 82.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 17.4 m170 -76.18 -62.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 10.0 109.631 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -36.68 -35.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.402 1.064 . . . . 10.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.5 mm-40 -43.35 -54.36 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 10.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -111.74 -51.27 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 10.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.794 HD22 ' HB1' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -45.69 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 10.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.39 -169.41 24.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.577 1.173 . . . . 10.0 110.942 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.465 ' C ' ' N ' ' A' ' 28' ' ' ALA . 1.8 m -89.63 -64.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.274 -1.01 . . . . 10.0 108.274 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.32 -28.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.794 ' HB1' HD22 ' A' ' 24' ' ' LEU . . . -40.12 -59.21 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 10.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.24 -42.09 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 10.0 108.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 34' ' ' PRO . 11.4 m-70 -93.14 -153.47 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 10.0 109.617 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -154.03 -131.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 10.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.24 -11.86 68.16 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.542 1.151 . . . . 10.0 111.022 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 m -148.97 106.11 3.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 10.0 110.412 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.505 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -74.97 165.81 30.55 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.481 1.779 . . . . 10.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 175.04 166.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 10.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' CG ' ' H ' ' A' ' 38' ' ' ALA . 2.2 ttmt -59.85 127.52 32.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 10.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 38' ' ' ALA . 20.0 mt -96.36 32.57 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 10.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 37' ' ' ILE . . . 28.9 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 10.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.707 HG21 ' CE2' ' A' ' 15' ' ' PHE . 21.5 mm -85.05 116.64 28.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 10.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' ALA . 2.0 m-20 178.25 170.01 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 10.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' SER . 6.5 mtpp -39.14 151.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 10.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 41' ' ' LYS . 16.4 mttt 68.1 -69.01 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 10.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -53.2 -70.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 10.0 109.882 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' ASP . . . -56.73 -18.19 11.67 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 10.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -92.2 2.36 56.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 10.0 109.587 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 48' ' ' ALA . 2.7 mttp -111.55 -162.9 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 10.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 48' ' ' ALA . 5.5 m-20 -39.54 -29.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 10.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' LYS . . . -37.0 -63.1 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 10.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -101.99 -77.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 10.0 108.273 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB2' ' CD ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -39.31 98.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 10.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' CYS . 1.6 t -176.11 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 10.0 110.435 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 53' ' ' HIS . 1.5 t -105.9 -66.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 10.0 108.367 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' CYS . 8.0 m170 -37.65 -49.15 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 10.0 109.586 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HG2' HG23 ' A' ' 60' ' ' THR . 2.2 mtpm? -77.53 64.92 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 10.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -177.08 -48.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 10.0 109.97 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' ASN . 4.9 t30 -102.39 -62.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 10.0 109.343 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 56' ' ' ASN . 1.3 m-20 -43.17 164.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 10.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.422 ' N ' ' CD ' ' A' ' 59' ' ' PRO . . . -75.32 -55.72 5.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.094 . . . . 10.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.442 ' HB2' ' N ' ' A' ' 64' ' ' GLY . 18.4 Cg_endo -74.99 174.32 12.98 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.489 1.783 . . . . 10.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.514 HG23 ' HG2' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -141.36 -45.71 0.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 10.0 110.398 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLY . 1.6 ptpt -118.18 132.36 56.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 10.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.6 m 66.6 -77.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 10.0 108.275 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -50.26 -20.87 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 10.0 111.069 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.442 ' N ' ' HB2' ' A' ' 59' ' ' PRO . . . -63.54 -93.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.027 -0.829 . . . . 10.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.6 m -66.91 -59.64 3.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.316 -0.994 . . . . 10.0 108.316 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -63.14 146.26 53.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 10.0 109.591 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 67' ' ' ILE . 92.6 mt -137.96 74.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 10.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 10.0 109.254 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.2 p -155.67 69.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 10.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.527 HG12 ' H ' ' A' ' 5' ' ' THR . 12.2 t -59.12 171.33 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 10.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.527 ' H ' HG12 ' A' ' 4' ' ' VAL . 1.6 m -151.19 166.12 31.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 10.0 110.393 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.727 ' CD2' ' CE2' ' A' ' 15' ' ' PHE . 16.4 m-85 -158.59 73.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 10.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -69.13 145.34 53.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 10.0 110.318 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 1.7 p30 -133.24 177.13 7.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 10.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -60.66 3.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.6 1.187 . . . . 10.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -46.01 -75.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 10.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -124.46 -122.02 2.63 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.443 1.09 . . . . 10.0 111.04 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t30 176.25 119.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.404 0.708 . . . . 10.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 6' ' ' TYR . 14.6 p -90.67 169.11 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 10.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.496 ' N ' HG22 ' A' ' 13' ' ' VAL . 45.9 m -150.47 113.47 4.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 10.0 110.365 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.727 ' CE2' ' CD2' ' A' ' 6' ' ' TYR . 10.0 m-30 -87.02 154.99 20.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 10.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.535 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 36.3 m-20 -127.34 126.94 43.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 10.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.61 -55.25 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 10.0 109.615 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -94.03 -12.0 29.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 10.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.29 -27.66 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 10.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.535 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -95.84 -43.26 7.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 10.0 109.616 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.12 -18.75 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 10.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.3 mm-40 -56.07 -45.9 79.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 10.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.13 -43.5 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 10.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.81 -98.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 10.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.99 -169.27 25.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 10.0 111.006 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.4 m -89.94 -56.23 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -56.37 -18.3 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 10.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.53 -60.75 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 10.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.29 -36.68 9.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 10.0 108.331 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' CYS . 44.9 m80 -93.23 -177.49 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 10.0 109.571 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -179.18 110.89 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 10.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.35 87.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 10.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.0 m 71.75 104.97 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 10.0 110.345 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 160.78 39.4 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 10.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -162.81 -173.14 3.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 10.0 109.337 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.94 115.58 15.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 10.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.421 ' O ' ' O ' ' A' ' 38' ' ' ALA . 42.8 mt -79.8 149.82 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 10.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.597 ' O ' ' HB ' ' A' ' 39' ' ' ILE . . . -60.13 -122.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 10.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.597 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 1.0 OUTLIER 90.54 149.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 10.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.7 OUTLIER 154.83 173.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 10.0 109.351 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -65.54 63.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 10.0 109.333 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' ASP . 2.0 tttt 174.05 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 10.0 109.268 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.641 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 5.9 t -107.0 -37.29 6.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 10.0 109.997 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.91 -18.01 11.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 10.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -99.25 -0.5 41.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 10.0 109.559 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.53 -154.87 0.52 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 10.0 109.258 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.14 -24.97 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 10.0 109.359 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.29 -71.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.162 . . . . 10.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -107.55 -52.14 2.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 10.0 108.278 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 51' ' ' THR . 3.1 mtpp -61.27 96.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.628 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.8 OUTLIER 167.9 -72.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 10.0 110.385 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.628 ' N ' HG22 ' A' ' 51' ' ' THR . 1.7 t -63.69 -43.72 95.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 10.0 108.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -59.05 -33.67 71.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 10.0 109.581 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -73.82 67.68 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 10.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.7 -73.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 10.0 110.003 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -77.47 -84.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.404 1.065 . . . . 10.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -99.67 -67.13 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 10.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 57.69 158.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 10.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HA ' ' HA3' ' A' ' 64' ' ' GLY . 18.1 Cg_endo -75.04 -166.86 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.528 1.804 . . . . 10.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 178.29 -44.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 10.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.585 ' O ' ' N ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER -124.39 68.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 10.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.546 ' O ' ' C ' ' A' ' 63' ' ' GLY . 85.4 m 52.22 -85.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 10.0 108.306 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -23.76 -46.49 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.509 1.131 . . . . 10.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -35.6 -47.53 0.89 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.042 -0.823 . . . . 10.0 111.042 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.437 ' N ' ' HB3' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -103.71 -69.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.304 -0.999 . . . . 10.0 108.304 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 63' ' ' GLY . 18.6 m-70 -61.03 153.85 24.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 10.0 109.602 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.2 mt -84.07 91.74 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.436 1.085 . . . . 10.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 tptp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 10.0 109.286 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.68 ' C ' HG23 ' A' ' 3' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.68 HG23 ' C ' ' A' ' 2' ' ' ASP . 3.0 t 83.89 111.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 10.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.2 t -104.72 149.58 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 10.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 m -117.62 119.42 34.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 10.0 110.374 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -103.43 156.44 17.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 10.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -135.5 143.45 45.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 10.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -153.25 -178.13 6.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 109.244 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -93.44 32.34 1.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 10.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -165.46 60.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 10.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.06 -148.52 21.55 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 10.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -166.23 151.12 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 10.0 109.381 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 13' ' ' VAL . 6.6 p -124.82 96.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 10.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 14' ' ' THR . 1.3 m -77.25 85.33 3.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 110.416 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -47.44 162.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 10.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.55 ' CB ' ' ND1' ' A' ' 20' ' ' HIS . 1.1 m-20 -124.91 130.41 52.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 10.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.556 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -118.05 -54.71 2.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 10.0 109.586 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -86.64 -40.16 15.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 10.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.91 -31.08 72.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 10.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.725 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -87.9 -53.07 4.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 10.0 109.619 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -38.34 -30.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 10.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' HIS . 1.7 mt-10 -54.29 -50.74 66.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 10.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' HIS . 6.6 mmtm -95.18 -56.58 2.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 10.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.725 HD13 ' CB ' ' A' ' 20' ' ' HIS . 7.5 mp -45.38 -91.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 121.38 34.14 0.9 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.562 1.164 . . . . 10.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER 65.04 -75.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.279 -1.008 . . . . 10.0 108.279 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 25' ' ' GLY . 30.4 m-20 -38.12 -40.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 10.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -39.57 -30.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 10.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.449 ' N ' ' C ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -118.81 -65.42 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 10.0 108.331 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -68.37 -174.37 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 10.0 109.584 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.32 107.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 10.0 110.262 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.16 101.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 10.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.0 m 57.41 103.47 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.375 0.691 . . . . 10.0 110.466 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.655 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 -160.03 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 10.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 166.16 -46.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 10.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.29 178.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 10.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.429 HG22 HG12 ' A' ' 39' ' ' ILE . 3.7 mt -138.59 155.14 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 10.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.5 80.87 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 10.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.521 HG23 ' HB2' ' A' ' 44' ' ' ALA . 13.8 mm -101.79 127.47 55.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.164 . . . . 10.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER 175.52 162.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 10.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 10.8 mttm -39.48 141.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 10.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 3.6 tttp 87.85 -61.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 10.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.972 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -70.95 -63.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 10.0 109.93 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.521 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -55.27 -15.16 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 10.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.422 ' C ' ' CG ' ' A' ' 46' ' ' LYS . 13.3 m170 -92.78 -41.39 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 10.0 109.601 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 43' ' ' SER . 19.3 mttt -151.45 161.42 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 10.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 t70 60.95 15.19 5.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 10.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.972 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -150.51 -45.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.63 1.206 . . . . 10.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' THR . 6.0 m -111.1 -68.29 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 10.0 108.223 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 84.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 10.0 109.252 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' CYS . 14.7 t -171.58 -41.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 10.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.7 t -102.37 -13.22 17.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 10.0 108.364 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.495 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 3.2 m-70 -96.06 17.43 15.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.604 1.19 . . . . 10.0 109.597 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -99.26 55.27 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 10.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.0 t -175.69 -55.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.498 1.124 . . . . 10.0 109.925 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.495 ' ND2' ' HA ' ' A' ' 53' ' ' HIS . 1.9 p30 -58.14 -169.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 10.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -129.74 127.41 40.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 10.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.43 -111.75 0.44 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 10.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 61' ' ' LYS . 18.3 Cg_endo -75.02 -90.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.505 1.792 . . . . 10.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 50.9 m 68.9 -58.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 10.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -93.2 164.59 13.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 10.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 61' ' ' LYS . 1.8 t -49.53 175.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 10.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.1 35.61 4.83 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.495 1.122 . . . . 10.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.98 -73.77 0.64 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.0 -0.84 . . . . 10.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.05 -43.33 99.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.237 -1.023 . . . . 10.0 108.237 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -69.81 106.11 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 109.62 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.0 mm -79.81 78.35 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 10.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 10.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.333 -0.618 . . . . 10.0 109.333 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 15' ' ' PHE . 13.6 p -174.28 114.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.3 t -82.3 132.5 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 10.0 109.231 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.429 ' HA ' HG23 ' A' ' 14' ' ' THR . 18.6 m -104.88 139.77 39.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 10.0 110.429 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -130.37 99.47 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 110.954 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.77 135.97 45.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 10.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -150.98 173.95 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 10.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -86.8 -68.84 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 10.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -46.84 -58.43 3.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.509 1.131 . . . . 10.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.22 149.29 13.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 10.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -93.16 151.81 19.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 10.0 109.345 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 13' ' ' VAL . 1.7 p -129.3 78.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 10.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.501 HG22 HG22 ' A' ' 3' ' ' VAL . 30.9 m -68.98 114.88 7.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 10.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.775 ' O ' HG23 ' A' ' 3' ' ' VAL . 91.1 m-85 -66.13 -170.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 10.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.853 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -150.13 111.46 4.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 10.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.19 -56.9 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 10.0 109.574 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.76 -17.75 26.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.853 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -78.5 -23.24 46.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 10.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.515 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -101.79 -51.84 3.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 10.0 109.559 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -47.52 -41.25 20.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 10.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' ALA . 8.3 pt-20 -37.55 -31.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 10.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . 8.9 mmtp -127.31 -47.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 10.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.472 HD13 ' HB3' ' A' ' 20' ' ' HIS . 0.3 OUTLIER -59.7 -100.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 10.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.54 173.19 14.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.474 1.108 . . . . 10.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -81.26 -28.58 34.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -84.95 -3.33 58.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 10.0 109.329 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.91 -15.59 26.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 10.0 109.326 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.1 m -127.95 -48.24 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 10.0 108.279 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' CYS . 57.0 m-70 -107.48 -164.28 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 10.0 109.588 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 2.3 mt-10 166.66 142.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 10.0 110.342 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.17 -60.84 1.43 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 10.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -149.15 111.32 3.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 10.0 110.43 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 114.7 4.09 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 10.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.64 160.82 37.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 10.0 109.342 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -46.48 103.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 10.0 109.346 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.576 HG23 ' N ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -61.0 171.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 10.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.576 ' N ' HG23 ' A' ' 37' ' ' ILE . . . -60.21 -117.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 10.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.677 HG23 ' HB2' ' A' ' 44' ' ' ALA . 4.8 mm 65.8 104.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 10.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' CG ' ' C ' ' A' ' 39' ' ' ILE . 0.0 OUTLIER 167.27 114.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 10.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' SER . 0.7 OUTLIER 66.86 -136.91 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 10.0 109.354 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -68.31 69.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 10.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.681 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -151.59 -61.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 10.0 110.001 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.677 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -59.7 -15.17 17.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 10.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -96.84 -1.02 46.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 10.0 109.604 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.2 -160.05 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 10.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -52.02 -21.83 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 10.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.01 -54.57 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 10.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 m -105.06 -80.72 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 10.0 108.284 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 51' ' ' THR . 1.2 ptmt -41.7 105.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 10.0 109.354 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.422 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER 171.74 -53.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 10.0 110.46 -179.894 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 48.0 t -104.55 40.94 1.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 10.0 108.325 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -133.13 -45.73 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 10.0 109.549 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -43.16 -33.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 10.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.9 t -48.96 -68.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 10.0 110.063 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -98.6 -67.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 10.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -162.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 10.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.44 65.7 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 10.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.37 3.93 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.503 1.791 . . . . 10.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -67.73 -68.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 10.0 110.463 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -72.45 151.42 42.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 10.0 109.243 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.2 m -48.75 153.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 108.291 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.56 -38.45 3.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.466 1.104 . . . . 10.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.18 -80.93 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.6 p -92.66 -49.86 5.88 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.298 -1.001 . . . . 10.0 108.298 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.66 150.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 10.0 109.578 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.5 mm -121.37 89.19 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 10.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 10.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.521 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 3' ' ' VAL . 1.0 OUTLIER 73.32 99.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 109.359 -179.917 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.592 HG11 ' CE1' ' A' ' 6' ' ' TYR . 3.9 t -124.91 156.31 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 10.0 109.361 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -132.3 97.16 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 10.0 110.431 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.651 ' HD2' HG13 ' A' ' 13' ' ' VAL . 20.0 m-85 -87.15 102.03 14.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 10.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.67 51.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 10.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -47.48 172.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 10.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -41.35 12.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -93.81 52.18 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 10.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.01 -141.69 17.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.551 1.157 . . . . 10.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 175.77 132.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 0.81 . . . . 10.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.651 HG13 ' HD2' ' A' ' 6' ' ' TYR . 7.4 p -118.68 109.6 27.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 10.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -105.79 123.17 47.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 10.0 110.427 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.434 ' CE1' HG22 ' A' ' 13' ' ' VAL . 15.8 m-30 -86.92 -174.14 4.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 10.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.602 ' OD1' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -154.51 40.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.521 ' HB3' ' N ' ' A' ' 2' ' ' ASP . 6.6 t-80 -34.5 -51.71 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 10.0 109.54 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -78.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 10.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.97 -46.29 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 10.0 109.354 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.847 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.5 -58.91 6.53 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 10.0 109.626 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -35.7 -34.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 20' ' ' HIS . 2.1 mt-10 -62.49 -57.18 12.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 10.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 20' ' ' HIS . 10.1 mmtt -78.82 -50.33 11.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 10.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.847 HD13 ' HB3' ' A' ' 20' ' ' HIS . 8.4 mp -57.78 -111.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 10.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 139.57 40.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.141 . . . . 10.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.519 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 61.98 -78.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.274 -1.009 . . . . 10.0 108.274 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER -31.23 -40.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 10.0 109.241 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -40.15 -58.08 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 10.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -94.65 -47.38 6.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 10.0 108.26 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 26.8 m80 -78.44 -154.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 10.0 109.554 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -178.75 98.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 10.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.41 94.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.526 1.141 . . . . 10.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.0 m 68.43 104.65 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 10.0 110.358 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.466 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -75.04 -163.64 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.802 . . . . 10.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 177.07 -52.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 10.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.72 -175.96 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.426 ' CG1' ' O ' ' A' ' 36' ' ' LYS . 34.3 mt -153.33 145.88 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 10.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.15 95.36 10.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 10.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.404 HG12 HG22 ' A' ' 37' ' ' ILE . 15.1 mm -113.92 104.85 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 10.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.6 OUTLIER -165.77 169.03 15.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.9 65.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 10.0 109.332 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' ASP . 4.0 tttm -175.51 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 10.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.555 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -112.2 -39.25 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 10.0 110.009 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.69 -17.2 13.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 10.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -95.11 -1.43 52.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 10.0 109.615 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.457 ' C ' ' N ' ' A' ' 48' ' ' ALA . 2.5 mttt -107.0 -163.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.7 OUTLIER -42.08 -27.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -37.2 -61.65 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 10.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -101.84 -76.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.62 1.2 . . . . 10.0 108.254 -179.953 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -47.62 95.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 10.0 109.262 -179.928 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -172.6 -55.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 10.0 110.423 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.08 -55.8 4.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 10.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -50.96 -25.52 4.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 109.59 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HG2' HG21 ' A' ' 60' ' ' THR . 5.4 mtpm? -53.14 -68.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.52 56.63 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 10.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t30 177.67 -176.97 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 10.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 3.0 p-10 -61.82 100.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 10.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.01 113.95 0.36 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.575 1.172 . . . . 10.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.419 ' O ' ' HA3' ' A' ' 64' ' ' GLY . 18.4 Cg_endo -75.01 78.32 2.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.435 1.755 . . . . 10.0 111.069 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.417 HG21 ' HG2' ' A' ' 54' ' ' LYS . 3.7 t -73.08 53.94 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 10.0 110.353 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -115.07 -32.52 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 10.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.5 t 177.0 -54.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 10.0 108.272 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.67 39.43 2.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.559 1.162 . . . . 10.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 65' ' ' CYS . . . -91.56 46.96 2.78 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.987 -0.845 . . . . 10.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 64' ' ' GLY . 1.6 p 160.24 -50.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.325 -0.991 . . . . 10.0 108.325 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -60.65 115.23 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 109.585 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mt -85.11 101.71 9.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 10.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.1 tttp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 10.0 109.29 -179.982 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 4' ' ' VAL . 2.7 t 60.19 168.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 10.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.671 HG12 ' O ' ' A' ' 4' ' ' VAL . 29.6 t -158.64 71.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 10.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.466 HG23 ' OG1' ' A' ' 14' ' ' THR . 19.5 m -40.2 147.84 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 10.0 110.409 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.48 84.95 1.82 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.545 1.153 . . . . 10.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -54.07 139.76 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.393 1.058 . . . . 10.0 110.333 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -135.03 -177.49 4.66 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.14 . . . . 10.0 109.368 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -100.61 -27.13 13.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 10.0 109.327 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.6 68.41 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 10.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.07 122.97 0.45 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.582 1.176 . . . . 10.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -70.32 153.27 43.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 0.773 . . . . 10.0 109.329 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 13' ' ' VAL . 2.5 p -122.09 47.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 10.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.466 ' OG1' HG23 ' A' ' 5' ' ' THR . 1.2 m -43.44 94.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 10.0 110.358 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.664 ' CZ ' HG21 ' A' ' 39' ' ' ILE . 52.0 m-85 -56.36 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 10.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.559 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 16.5 m-20 -145.81 127.73 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 10.0 109.332 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.17 -59.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 10.0 109.551 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 30.5 tttt -68.51 -52.03 36.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 10.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.31 -40.7 71.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 10.0 109.254 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 15.2 m170 -72.62 -65.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 10.0 109.536 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -39.18 -44.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 10.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.6 mm-40 -38.67 -57.0 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.132 . . . . 10.0 110.251 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -89.5 -42.17 11.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 10.0 109.224 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.838 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 7.3 mp -65.78 -109.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 109.236 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 137.24 39.35 0.13 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.482 1.114 . . . . 10.0 111.017 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 67.84 -68.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.305 -0.998 . . . . 10.0 108.305 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' GLY . 7.5 m-20 -42.69 -46.56 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 10.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.838 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -45.1 -26.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 10.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' CYS . 75.0 m -115.85 -66.18 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 10.0 108.34 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 26' ' ' CYS . 13.8 m80 -80.18 -165.59 0.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 10.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.66 88.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.25 80.66 1.22 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 10.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 m 72.68 104.83 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.426 0.721 . . . . 10.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.541 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 18.0 Cg_endo -75.04 -178.65 4.32 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.798 . . . . 10.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 172.88 161.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 10.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -56.3 108.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 10.0 109.254 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.0 mt -75.17 148.09 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 10.0 109.34 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.98 77.75 5.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.13 . . . . 10.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.79 HD12 ' HB2' ' A' ' 44' ' ' ALA . 24.2 mm -100.18 129.05 51.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 10.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.54 -52.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 10.0 109.319 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 178.23 92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 10.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 8.0 mttt 169.45 -39.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 10.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' SER . . . . . 1.051 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -116.25 -48.62 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.96 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.79 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -53.91 -15.74 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 10.0 109.361 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.424 ' N ' ' C ' ' A' ' 43' ' ' SER . 4.7 m170 -92.7 -43.11 9.24 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 10.0 109.651 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.502 ' O ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -149.73 168.94 22.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 10.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 45.22 35.88 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 10.0 109.325 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.051 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -168.59 -48.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 10.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 50' ' ' LYS . 60.3 m -109.23 -74.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.14 . . . . 10.0 108.267 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -38.25 -57.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.177 . . . . 10.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 m -40.89 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 10.0 110.444 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 21.3 t -84.82 105.78 15.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 10.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.466 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.3 OUTLIER 163.51 -28.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.486 1.116 . . . . 10.0 109.61 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -68.74 62.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 10.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -174.81 -42.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.963 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.03 -57.91 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 10.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.64 -155.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.611 1.194 . . . . 10.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -174.22 79.45 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.575 1.172 . . . . 10.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.547 ' HA ' ' CA ' ' A' ' 64' ' ' GLY . 18.5 Cg_endo -74.87 144.15 30.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 10.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.509 ' O ' ' O ' ' A' ' 61' ' ' LYS . 12.7 m -150.57 52.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 10.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.509 ' O ' ' O ' ' A' ' 60' ' ' THR . 0.1 OUTLIER 44.15 99.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 10.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 61' ' ' LYS . 6.7 m 82.09 -67.11 0.1 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.556 1.16 . . . . 10.0 108.33 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.48 -11.82 16.29 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.128 . . . . 10.0 110.987 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.547 ' CA ' ' HA ' ' A' ' 59' ' ' PRO . . . -72.58 -65.85 2.22 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.988 -0.845 . . . . 10.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.8 p -141.37 62.54 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 62' ' ' CYS . 3.8 m-70 -163.73 96.72 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 10.0 109.568 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.689 HG23 ' N ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -51.34 179.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 10.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.689 ' N ' HG23 ' A' ' 67' ' ' ILE . 9.5 pttp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 10.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.631 ' O ' HG12 ' A' ' 3' ' ' VAL . 1.2 t0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 89.16 147.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 10.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 4' ' ' VAL . 77.8 t -153.91 55.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 10.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.656 ' OG1' HG23 ' A' ' 14' ' ' THR . 3.0 m -42.91 159.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 10.0 110.34 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.625 ' HB2' HG13 ' A' ' 13' ' ' VAL . 13.6 m-85 -136.95 109.34 7.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 10.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -62.55 139.86 58.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 10.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -149.67 -175.67 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 10.0 109.294 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.56 -2.86 14.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 10.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 72.66 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 10.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.4 98.53 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 10.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.24 121.69 10.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 10.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.625 HG13 ' HB2' ' A' ' 6' ' ' TYR . 13.7 p -82.92 88.88 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 10.0 109.352 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.656 HG23 ' OG1' ' A' ' 5' ' ' THR . 2.3 m -75.72 84.08 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 10.0 110.347 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.531 ' HZ ' HG21 ' A' ' 39' ' ' ILE . 5.2 m-85 -50.75 -178.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 10.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.485 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 3.7 m-20 -157.29 129.41 7.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 10.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.15 -58.26 2.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 10.0 109.569 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -43.68 71.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 10.0 109.272 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.27 -29.68 68.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 10.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.485 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 2.2 m170 -79.5 -55.87 4.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 10.0 109.619 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.07 -30.94 4.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.68 -58.93 3.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -90.52 -31.63 16.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 10.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.804 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -68.04 -105.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 10.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 129.5 34.65 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 10.0 111.029 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.547 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 66.57 -73.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.328 -0.989 . . . . 10.0 108.328 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER -43.17 -26.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 10.0 109.272 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.804 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -61.83 -39.92 93.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 10.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.547 ' N ' ' O ' ' A' ' 26' ' ' CYS . 91.9 m -103.99 -52.76 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 10.0 108.339 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.565 ' CE1' HD11 ' A' ' 37' ' ' ILE . 3.5 m80 -95.05 -150.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 10.0 109.599 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -158.93 -144.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 10.0 110.279 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.452 ' N ' ' CG ' ' A' ' 31' ' ' GLU . . . -57.57 94.78 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.09 . . . . 10.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.0 m 69.95 105.33 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 10.0 110.375 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -74.96 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.499 1.789 . . . . 10.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 178.49 -57.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.378 1.049 . . . . 10.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.39 163.66 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 30' ' ' HIS . 6.9 mt -122.89 156.83 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 10.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.24 96.05 6.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 10.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.833 HD12 ' HB2' ' A' ' 44' ' ' ALA . 6.0 mm -126.77 146.12 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 10.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 13.1 t0 -164.74 -63.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 10.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER 178.5 38.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 10.0 109.306 -179.928 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.2 -68.35 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 10.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.827 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 1.2 t -51.64 -52.53 47.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 10.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.833 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -55.48 -18.99 8.24 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 10.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -100.47 5.63 44.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 10.0 109.592 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 47' ' ' ASP . 5.5 mttt -119.4 -165.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 10.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 46' ' ' LYS . 4.7 m-20 -37.32 -34.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 10.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.827 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -38.11 -44.85 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.596 ' O ' ' C ' ' A' ' 50' ' ' LYS . 75.3 m -126.39 -106.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 10.0 108.32 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.596 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.2 OUTLIER 22.65 -95.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 10.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.523 ' C ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -28.96 -56.48 0.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 10.0 110.398 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.481 ' H ' HG23 ' A' ' 51' ' ' THR . 8.0 t -85.92 77.62 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 10.0 108.339 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.483 ' HB3' ' CG ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER 172.28 -36.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 10.0 109.551 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -71.98 66.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 10.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.93 -58.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 10.0 110.046 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.99 -75.06 0.64 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 10.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -43.0 -48.53 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 10.0 109.257 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 59' ' ' PRO . . . 69.85 61.62 4.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 10.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.489 ' O ' ' HB ' ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.06 -155.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 10.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 60' ' ' THR . 4.3 m 67.69 30.31 6.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 10.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.03 22.24 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 10.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.2 m 51.34 31.55 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 10.0 108.288 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -150.31 19.41 1.05 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 10.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.53 -68.61 0.95 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -68.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.24 -1.022 . . . . 10.0 108.24 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -45.71 148.14 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 10.0 109.571 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 78.4 mt -110.21 101.25 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 10.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.138 . . . . 10.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.465 ' CB ' ' HG2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 15' ' ' PHE . 4.1 p -178.19 77.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.391 1.057 . . . . 10.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.7 t -54.43 134.16 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 10.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.6 m -104.34 154.53 19.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 10.0 110.4 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 1.8 m-85 -148.55 81.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 10.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -73.4 125.45 27.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 10.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -128.89 171.33 12.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 10.0 109.352 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -62.46 -48.66 78.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 10.0 109.37 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 10.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.05 142.74 9.81 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.473 1.108 . . . . 10.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -62.34 126.25 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 10.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 13' ' ' VAL . 7.7 p -114.38 54.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 10.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.95 134.63 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 10.0 110.458 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.531 ' O ' HG23 ' A' ' 3' ' ' VAL . 6.9 m-85 -87.75 -173.69 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 10.0 110.958 -179.913 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.514 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 1.3 m-20 -146.84 121.39 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 10.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.48 -63.05 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 10.0 109.569 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HG2' ' CB ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -86.15 -20.37 28.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 10.0 109.355 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.96 -27.49 39.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 10.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.514 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -94.87 -49.54 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 10.0 109.58 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -53.02 -51.68 60.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 10.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -39.04 -29.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 10.0 110.35 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.6 tttp -105.06 -64.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 10.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' A' ' 20' ' ' HIS . 4.9 mp -57.65 -92.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' CYS . . . 123.59 66.67 0.21 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 10.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER 39.61 -146.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.244 -1.021 . . . . 10.0 108.244 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 26' ' ' CYS . 66.0 m-20 35.24 31.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 10.0 109.374 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -117.81 -61.35 1.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 10.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.96 5.16 18.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 10.0 108.316 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -117.21 177.27 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 10.0 109.634 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -178.85 121.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.98 92.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.541 1.151 . . . . 10.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.9 m 71.29 105.19 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.444 0.732 . . . . 10.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 126.68 10.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 10.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.45 -177.48 4.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 10.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.515 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -71.95 108.18 5.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 10.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.538 HG22 ' N ' ' A' ' 38' ' ' ALA . 38.8 mt -64.82 167.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 10.0 109.239 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.538 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -94.28 90.36 6.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 10.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.539 HG23 ' HB2' ' A' ' 44' ' ' ALA . 6.6 mm -119.7 140.96 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 10.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 10.7 t70 -165.22 -67.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 10.0 109.337 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER 177.52 82.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 10.0 109.327 179.923 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm 173.14 -58.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 109.284 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -81.57 -36.73 28.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 10.0 109.972 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.928 ' HA ' ' HB3' ' A' ' 48' ' ' ALA . . . -65.15 -6.09 8.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 10.0 109.24 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -98.2 -4.06 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 10.0 109.569 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -169.4 -65.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.401 1.063 . . . . 10.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 27.7 m-20 -70.98 55.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 10.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.928 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . 173.11 -76.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 10.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.568 ' O ' ' N ' ' A' ' 51' ' ' THR . 60.0 m -88.64 -129.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 10.0 108.313 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.559 ' O ' ' C ' ' A' ' 51' ' ' THR . 5.0 mmtp 28.78 -93.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 10.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.568 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -25.49 -50.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 10.0 110.363 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.476 ' N ' ' CG2' ' A' ' 51' ' ' THR . 9.0 t -96.23 85.01 3.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 10.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 175.23 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.614 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -66.66 72.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 10.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -157.03 -51.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 10.0 109.972 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -105.25 -60.52 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 10.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -86.49 -172.13 3.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 10.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -145.69 64.65 0.44 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 10.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.17 4.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 10.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 m -85.17 -49.78 7.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.087 . . . . 10.0 110.457 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -76.91 -156.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 10.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -107.4 43.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 10.0 108.278 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -126.65 -42.24 0.29 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.528 1.143 . . . . 10.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.13 -83.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.994 -0.842 . . . . 10.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -72.84 -64.95 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.325 -0.991 . . . . 10.0 108.325 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -64.88 103.56 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 10.0 109.605 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 67' ' ' ILE . 19.7 mm -88.46 79.35 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 10.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 10.0 109.275 -179.995 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.453 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 3' ' ' VAL . 17.8 t 66.4 81.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 14' ' ' THR . 10.0 t -105.8 164.54 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 10.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.603 HG23 ' OG1' ' A' ' 14' ' ' THR . 89.7 m -131.2 91.48 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 10.0 110.362 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.546 ' CD2' ' CZ ' ' A' ' 15' ' ' PHE . 4.2 m-30 -81.26 124.9 29.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 10.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -113.82 110.88 20.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 10.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -113.75 159.36 19.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 10.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -40.31 -50.48 2.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 10.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -79.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 10.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.38 -100.47 0.22 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 10.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -172.69 137.3 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 10.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.474 HG23 ' HB3' ' A' ' 65' ' ' CYS . 10.8 p -120.92 62.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.749 HG23 ' O ' ' A' ' 4' ' ' VAL . 4.2 m -55.4 130.58 43.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 10.0 110.426 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.546 ' CZ ' ' CD2' ' A' ' 6' ' ' TYR . 8.8 m-85 -88.39 -173.57 4.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 10.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.593 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 1.2 m-20 -150.2 117.66 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 10.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.453 ' HB3' ' N ' ' A' ' 2' ' ' ASP . 9.3 t-80 -124.08 -65.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 109.6 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -21.77 64.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 10.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.79 -32.92 13.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 10.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.593 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -77.24 -35.34 55.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 10.0 109.583 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -15.1 11.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 10.0 109.329 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -79.55 -49.65 11.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 10.0 110.372 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -87.76 -53.74 4.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 10.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.669 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 6.6 mp -58.73 -114.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 10.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 145.87 38.01 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 10.0 110.961 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.547 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 65.48 -69.7 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.343 -0.984 . . . . 10.0 108.343 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 25' ' ' GLY . 2.4 m-20 -39.17 -28.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 10.0 109.251 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.669 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -62.61 -48.11 80.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 10.0 109.352 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.547 ' N ' ' O ' ' A' ' 26' ' ' CYS . 20.4 m -93.42 -50.72 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 10.0 108.254 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 26' ' ' CYS . 3.4 m80 -95.26 179.34 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 10.0 109.644 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.14 94.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 10.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.72 82.83 1.02 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 10.0 111.042 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.0 m 71.43 103.38 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 10.0 110.451 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 159.89 40.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.43 1.753 . . . . 10.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' LYS . . . -173.38 157.75 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.45 ' N ' ' HE3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.2 143.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 10.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.5 mt -119.01 146.28 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 10.0 109.332 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.43 91.03 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 10.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.42 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 3.7 mm -97.75 137.79 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 10.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER 162.01 165.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 10.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' ASP . 19.2 ttpt -42.37 163.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 10.0 109.322 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER 79.87 -70.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 10.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 46' ' ' LYS . 26.3 m -67.78 -67.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 10.0 109.934 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.885 ' HA ' ' HB3' ' A' ' 48' ' ' ALA . . . -55.15 -15.99 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 10.0 109.251 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.406 ' N ' ' C ' ' A' ' 43' ' ' SER . 1.6 m-70 -106.61 13.79 27.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 10.0 109.598 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 42' ' ' LYS . 26.2 tttm -131.41 -92.98 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 10.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.408 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 1.3 m-20 -122.89 65.97 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 10.0 109.206 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.885 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -146.19 -45.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 10.0 109.216 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -113.35 -69.34 0.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 10.0 108.306 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' CYS . 49.1 mttt -39.97 -57.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 10.0 109.252 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.499 HG23 ' N ' ' A' ' 52' ' ' CYS . 2.2 t -38.03 -56.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 10.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 51.4 t -95.33 104.03 15.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.617 1.198 . . . . 10.0 108.295 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER 161.49 -47.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 10.0 109.572 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -46.5 -30.83 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 10.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.49 64.9 4.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 10.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 167.39 -87.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 10.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -110.0 -42.86 4.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 10.0 109.339 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.448 ' N ' ' HD3' ' A' ' 59' ' ' PRO . . . 61.72 61.82 6.38 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 10.0 111.014 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 58' ' ' GLY . 18.2 Cg_endo -75.0 54.91 3.78 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.804 . . . . 10.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 t -101.27 53.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 10.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 63' ' ' GLY . 1.2 pttt -141.89 32.91 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 10.0 109.206 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 66' ' ' HIS . 1.1 m 68.54 -70.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 10.0 108.32 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -51.96 -20.21 6.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.555 1.16 . . . . 10.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.417 ' HA3' ' CB ' ' A' ' 59' ' ' PRO . . . -65.96 -64.04 3.64 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.474 ' HB3' HG23 ' A' ' 13' ' ' VAL . 39.8 m -91.25 -54.94 3.72 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.307 -0.997 . . . . 10.0 108.307 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 62' ' ' CYS . 55.6 m-70 -86.97 100.51 12.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 10.0 109.613 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.4 mt -78.21 69.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 10.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 10.0 109.263 179.949 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.51 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.51 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 13.2 t 69.51 97.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.502 1.126 . . . . 10.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.596 HG11 ' CE2' ' A' ' 6' ' ' TYR . 2.9 t -111.17 156.11 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 10.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.6 m -142.09 78.71 1.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 10.0 110.39 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.596 ' CE2' HG11 ' A' ' 4' ' ' VAL . 31.6 m-85 -71.49 153.22 42.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 10.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -128.31 106.05 8.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 10.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 10' ' ' LYS . 3.2 p30 -111.77 -175.01 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -93.21 32.01 1.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 10.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 66' ' ' HIS . 0.4 OUTLIER -164.02 60.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 10.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.29 173.06 49.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 10.0 111.04 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -131.21 126.55 35.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 10.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 13' ' ' VAL . 10.7 p -90.49 118.76 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 10.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.5 m -98.18 73.44 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 10.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.685 ' CZ ' HG21 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -42.49 161.37 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 10.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.58 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.3 OUTLIER -146.06 103.39 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -114.49 -49.09 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 10.0 109.623 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.63 -25.0 58.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 10.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.93 -39.68 15.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 10.0 109.267 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.58 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 1.5 m-70 -71.26 -47.06 59.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 10.0 109.548 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.32 -24.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 10.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 20' ' ' HIS . 1.9 mt-10 -71.24 -51.72 23.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 10.0 110.36 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -56.39 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.6 1.187 . . . . 10.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.042 HD23 ' CB ' ' A' ' 28' ' ' ALA . 6.4 mp -53.64 -101.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 10.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.12 40.85 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.437 1.086 . . . . 10.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 28' ' ' ALA . 1.6 m 72.08 -57.68 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.303 -0.999 . . . . 10.0 108.303 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.26 62.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.221 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 1.042 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -138.65 -55.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 10.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.47 -11.23 13.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 10.0 108.363 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.433 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 92.0 m-70 -104.23 -178.2 3.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 10.0 109.588 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 32' ' ' GLY . 14.5 tt0 -149.91 99.38 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 10.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . 46.9 99.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 10.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.4 m 67.66 104.88 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.568 0.805 . . . . 10.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.433 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.2 Cg_endo -75.0 178.39 7.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 10.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -166.94 -51.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 10.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -176.42 177.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 10.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.484 HG22 HG12 ' A' ' 39' ' ' ILE . 40.8 mt -151.92 150.54 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 10.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -101.34 106.07 17.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 10.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.685 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 19.9 mm -116.82 130.76 71.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 10.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 42' ' ' LYS . 2.8 p30 179.64 163.9 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 10.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -65.85 71.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 10.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 40' ' ' ASP . 6.5 tttt -178.37 -43.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 10.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.705 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -106.52 -36.49 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 10.0 109.989 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.415 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -58.63 -16.09 14.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 10.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -97.56 -3.37 39.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.087 . . . . 10.0 109.568 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -105.04 -160.99 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 10.0 109.244 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' ALA . 16.7 p-10 -46.8 -26.97 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 10.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -37.96 -54.9 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 10.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 51' ' ' THR . 1.7 m -116.72 -73.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 10.0 108.271 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' CYS . 14.3 mmmt -38.46 99.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 10.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.705 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 176.96 -77.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.427 1.079 . . . . 10.0 110.378 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.705 ' N ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -62.05 -52.83 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 10.0 108.259 -179.929 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -43.57 -44.42 6.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.638 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -69.88 79.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 10.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.39 -36.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.979 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -109.19 -75.77 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.608 1.193 . . . . 10.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -73.81 -177.04 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 10.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -135.14 69.07 0.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.573 1.17 . . . . 10.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.527 ' CB ' ' HA3' ' A' ' 64' ' ' GLY . 18.0 Cg_endo -75.08 -43.88 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.778 . . . . 10.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.585 ' O ' ' O ' ' A' ' 61' ' ' LYS . 9.9 t 38.26 36.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 10.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.585 ' O ' ' O ' ' A' ' 60' ' ' THR . 6.3 pttt 51.36 160.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 10.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 61' ' ' LYS . 10.6 m 39.99 89.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 10.0 108.284 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.59 -18.6 8.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 10.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.527 ' HA3' ' CB ' ' A' ' 59' ' ' PRO . . . -91.06 -78.92 1.38 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 m -76.53 -59.64 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 10' ' ' LYS . 91.7 m-70 -74.15 90.65 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 10.0 109.529 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.4 mt -88.57 94.07 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 10.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 10.0 109.285 -179.99 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.518 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 2.9 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.314 -0.625 . . . . 10.0 109.314 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.794 HG12 ' O ' ' A' ' 3' ' ' VAL . 3.5 t 68.48 72.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 10.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.673 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 11.8 t -98.64 147.59 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 10.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.411 ' HA ' ' OG1' ' A' ' 14' ' ' THR . 55.1 m -121.52 111.43 17.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 10.0 110.376 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.673 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 8.8 m-30 -112.2 101.86 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 10.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -95.05 70.57 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 10.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 3.0 p30 -74.96 -176.07 2.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 10.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.72 -57.37 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 10.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -43.6 -81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 10.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -152.92 120.35 1.05 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.471 1.107 . . . . 10.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -53.29 138.9 31.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 10.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.7 p -137.01 72.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 10.0 109.354 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 4' ' ' VAL . 1.6 m -70.84 101.71 2.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 10.0 110.349 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.411 ' CE2' ' CE2' ' A' ' 6' ' ' TYR . 2.9 m-85 -60.39 160.03 9.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 10.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.616 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -129.92 116.49 18.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 10.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.518 ' HB3' ' N ' ' A' ' 2' ' ' ASP . 7.9 t-80 -121.63 -64.89 1.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 10.0 109.583 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.76 -27.05 67.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 10.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.72 -35.64 24.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 10.0 109.276 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.616 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -76.02 -52.41 10.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 10.0 109.556 -179.944 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.02 -25.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 20' ' ' HIS . 3.6 mm-40 -40.87 -51.46 3.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 10.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -124.11 -48.54 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 10.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.651 HD22 ' HB1' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -40.22 -86.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 10.0 109.278 179.945 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.8 -171.69 22.27 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.528 1.142 . . . . 10.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.453 ' C ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -89.83 -60.2 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.009 . . . . 10.0 108.277 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 30' ' ' HIS . 1.5 m-20 -41.79 -26.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 10.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.651 ' HB1' HD22 ' A' ' 24' ' ' LEU . . . -41.85 -47.09 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 10.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.566 ' HB2' HD11 ' A' ' 37' ' ' ILE . 1.7 m -107.8 -56.79 2.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 10.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.508 ' CD2' ' HB3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -79.58 -172.78 3.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 10.0 109.583 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -178.85 91.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 10.0 110.269 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.97 71.59 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 10.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.1 m 64.24 106.34 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 10.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.508 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -74.98 -177.55 3.54 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 10.0 111.054 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -178.27 -39.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 10.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER 178.99 156.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 10.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 29' ' ' CYS . 36.9 mt -122.54 -1.57 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 39.66 90.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 10.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.446 HG23 ' HB2' ' A' ' 44' ' ' ALA . 10.8 mm -102.3 115.38 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 10.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 42' ' ' LYS . 4.0 t70 -163.43 165.91 23.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 10.0 109.238 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 10.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -178.63 -38.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 10.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -113.29 -44.43 3.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 10.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.519 ' HA ' ' HB3' ' A' ' 48' ' ' ALA . . . -54.01 -20.63 6.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 10.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -89.37 7.71 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 10.0 109.691 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -119.39 -159.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 109.237 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 48' ' ' ALA . 2.3 m-20 -40.08 -31.91 0.15 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.422 1.076 . . . . 10.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -36.24 -57.66 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 10.0 109.346 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -110.0 -74.51 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 10.0 108.28 179.963 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.32 101.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.726 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.8 OUTLIER -176.32 -77.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 10.0 110.373 -179.928 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.726 ' N ' HG22 ' A' ' 51' ' ' THR . 0.5 OUTLIER -77.5 -44.48 28.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 10.0 108.319 179.944 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.437 ' CG ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -53.15 -52.55 58.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 10.0 109.586 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -80.23 65.34 5.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 10.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -153.06 -51.42 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 10.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -93.91 -78.07 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 10.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -154.74 116.16 4.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 10.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.57 -140.41 6.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.104 . . . . 10.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 18.4 Cg_endo -74.92 171.7 17.79 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.483 1.781 . . . . 10.0 110.951 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.544 HG23 ' HG2' ' A' ' 61' ' ' LYS . 2.3 t -178.2 -47.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 10.0 110.366 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.544 ' HG2' HG23 ' A' ' 60' ' ' THR . 0.0 OUTLIER -101.17 -109.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 10.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 64' ' ' GLY . 0.5 OUTLIER -112.53 -65.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 10.0 108.211 -179.916 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.74 69.16 0.29 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.512 1.133 . . . . 10.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -127.87 -84.6 0.46 Allowed Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.434 ' N ' ' HB3' ' A' ' 59' ' ' PRO . 3.0 p -79.51 -43.76 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -68.31 103.96 1.73 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 10.0 109.574 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.4 mt -79.37 77.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 10.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 10.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.763 ' C ' HG13 ' A' ' 3' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.309 -0.626 . . . . 10.0 109.309 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.763 HG13 ' C ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 72.78 145.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 10.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.32 150.79 34.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 10.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m -114.86 121.38 43.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 10.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -110.49 150.42 28.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 10.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -118.08 127.8 54.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 10.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -130.64 179.85 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 10.0 109.293 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.3 23.74 7.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 -79.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 10.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 12' ' ' ASN . . . -161.47 37.18 0.4 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.531 1.145 . . . . 10.0 110.958 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 11' ' ' GLY . 43.0 m-20 47.36 -173.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 0.784 . . . . 10.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 13' ' ' VAL . 1.5 p -169.17 62.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 10.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 m -52.89 136.19 34.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 10.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.628 ' HE2' HG21 ' A' ' 39' ' ' ILE . 85.1 m-85 -99.23 -173.01 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 10.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.811 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -151.07 115.46 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 10.0 109.268 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -46.48 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 10.0 109.632 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 6.3 tttt -88.29 -36.09 16.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 10.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.811 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -65.5 -35.01 79.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 10.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.589 ' CE1' ' OD1' ' A' ' 16' ' ' ASP . 10.3 m170 -79.3 -63.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 109.621 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -38.62 -31.28 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 10.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.6 mm-40 -52.23 -55.66 19.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.389 1.056 . . . . 10.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.1 -40.9 11.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 10.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.569 HD23 ' CB ' ' A' ' 28' ' ' ALA . 6.0 mp -68.83 -119.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 10.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 154.86 41.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.148 . . . . 10.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER 65.03 -74.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.317 -0.994 . . . . 10.0 108.317 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 25' ' ' GLY . 1.9 t70 -32.14 -38.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 10.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.569 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -41.54 -51.92 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 10.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 26' ' ' CYS . 0.8 OUTLIER -106.07 -46.55 4.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 10.0 108.358 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.57 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 22.1 m-70 -94.93 -150.52 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 10.0 109.621 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -173.1 -150.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 10.0 110.298 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.01 -25.28 0.95 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 10.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.4 m -151.05 106.86 3.01 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 10.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.742 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 18.5 Cg_endo -74.9 -84.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.469 1.773 . . . . 10.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 34' ' ' PRO . . . 90.6 -69.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 10.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -177.25 175.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 10.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.454 HD11 ' CE1' ' A' ' 30' ' ' HIS . 62.9 mt -140.48 162.12 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.43 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -110.72 93.4 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 10.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.783 HG23 ' HB2' ' A' ' 44' ' ' ALA . 28.8 mm -106.62 95.89 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 10.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 172.44 152.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt 70.24 -144.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 10.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -84.29 50.45 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 10.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.494 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -130.35 -62.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.39 1.056 . . . . 10.0 110.085 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.783 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -57.54 -17.82 15.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.112 . . . . 10.0 109.414 179.9 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -96.43 -2.36 45.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 109.586 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 48' ' ' ALA . 2.6 tttt -102.61 -158.49 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 48' ' ' ALA . 19.2 m-20 -42.87 -29.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 10.0 109.364 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -38.87 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 84.5 m -92.43 -61.76 1.54 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 10.0 108.345 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 51' ' ' THR . 0.3 OUTLIER -58.35 102.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 10.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.458 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER 168.84 -65.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 10.0 110.385 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.442 ' N ' HG22 ' A' ' 51' ' ' THR . 18.7 t -100.16 72.64 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.12 . . . . 10.0 108.342 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -159.02 -44.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 10.0 109.624 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.83 62.76 5.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 10.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -132.06 -54.75 0.98 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.559 1.162 . . . . 10.0 110.054 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -112.53 -60.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 10.0 109.232 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -149.74 97.37 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 10.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.13 121.8 1.78 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.413 1.071 . . . . 10.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.476 ' HG2' ' CA ' ' A' ' 64' ' ' GLY . 18.2 Cg_endo -75.03 82.06 2.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.782 . . . . 10.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.6 t -89.12 24.7 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 10.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -106.97 57.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 10.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.3 t 64.43 135.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 10.0 108.269 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . 75.13 -101.73 1.38 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 10.0 110.985 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.476 ' CA ' ' HG2' ' A' ' 59' ' ' PRO . . . 68.13 -54.95 0.42 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.036 -0.826 . . . . 10.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.8 OUTLIER -97.16 -21.26 17.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.245 -1.02 . . . . 10.0 108.245 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -77.5 87.65 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 10.0 109.641 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.445 ' O ' ' CG2' ' A' ' 67' ' ' ILE . 3.8 tt -48.71 114.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 10.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 10.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.45 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 46.6 m-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 15' ' ' PHE . 73.2 t -129.53 137.93 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 10.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.59 HG23 ' HB2' ' A' ' 15' ' ' PHE . 1.4 m -120.75 162.72 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 10.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 5' ' ' THR . 10.0 t -154.25 112.57 3.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 110.445 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.463 ' HB2' HG12 ' A' ' 13' ' ' VAL . 22.9 m-30 -94.82 143.85 26.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 10.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.51 120.91 20.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 10.0 110.293 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.459 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 2.4 m120 -111.84 -11.25 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 10.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 8' ' ' ASN . 3.1 tptm 85.05 -49.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 10.0 109.233 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.48 67.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 10.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.488 ' O ' ' CE1' ' A' ' 66' ' ' HIS . . . 100.24 93.42 2.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 10.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -69.61 133.17 47.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 10.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.693 HG13 ' O ' ' A' ' 13' ' ' VAL . 9.8 p -73.98 95.67 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.59 ' O ' HG22 ' A' ' 14' ' ' THR . 5.6 m -73.0 60.3 0.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.148 . . . . 10.0 110.4 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.705 ' O ' HG13 ' A' ' 3' ' ' VAL . 4.8 m-85 -47.38 173.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 10.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.591 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 18.1 m-20 -148.26 127.75 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 10.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -103.0 -47.85 4.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 10.0 109.618 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -90.18 -40.94 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -60.84 -31.55 70.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 10.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.438 ' ND1' ' HB2' ' A' ' 16' ' ' ASP . 8.8 m170 -84.25 -64.53 1.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 10.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -39.35 -54.14 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 10.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -37.22 -31.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 10.0 110.29 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.2 mmtt -103.33 -47.84 4.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 10.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.61 ' N ' HD12 ' A' ' 24' ' ' LEU . 3.7 mp -75.71 -115.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 10.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 159.34 37.74 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.463 1.102 . . . . 10.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.615 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER 70.68 -54.48 0.65 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.282 -1.007 . . . . 10.0 108.282 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 25' ' ' GLY . 62.1 m-20 -60.94 68.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 10.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.615 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -140.17 -59.37 0.54 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.566 1.166 . . . . 10.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.11 -8.83 13.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 10.0 108.403 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -102.19 -171.77 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.614 1.196 . . . . 10.0 109.583 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 170.96 101.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 10.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.17 91.66 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 10.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 m 68.3 105.44 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 10.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 148.88 36.0 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 10.0 111.047 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.85 175.01 14.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -67.65 107.05 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.601 1.188 . . . . 10.0 109.291 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 38' ' ' ALA . 28.5 mt -73.18 164.96 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 10.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.494 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -100.04 90.53 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 10.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.895 HG23 ' HB2' ' A' ' 44' ' ' ALA . 39.1 mm -96.77 137.29 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 10.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 175.45 -75.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 10.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -133.21 142.46 48.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 10.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.07 -57.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.725 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 2.6 m -91.81 52.86 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 10.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.895 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -179.34 -36.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 10.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -103.97 2.7 32.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 10.0 109.606 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -123.05 -153.08 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 10.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -39.89 -38.46 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 10.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.725 ' HB2' ' HA ' ' A' ' 43' ' ' SER . . . -38.4 -48.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' THR . 61.9 m -113.07 -71.44 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 10.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.13 88.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 10.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' CYS . 7.0 t -173.27 -42.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.0 t -99.71 -40.35 7.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 10.0 108.314 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.415 ' C ' ' N ' ' A' ' 55' ' ' SER . 5.4 m170 -58.16 -24.35 58.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 10.0 109.575 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -46.76 -25.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 10.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 53' ' ' HIS . 8.4 t -105.72 -56.06 2.24 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.129 . . . . 10.0 110.059 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -86.72 133.88 33.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 10.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.2 t-20 77.22 176.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 10.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.77 84.73 0.37 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.504 1.127 . . . . 10.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.524 ' O ' ' CB ' ' A' ' 60' ' ' THR . 18.1 Cg_endo -75.1 -160.53 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 10.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.524 ' CB ' ' O ' ' A' ' 59' ' ' PRO . 2.3 m 84.47 -49.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 10.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.27 173.21 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 10.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 m -72.92 60.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 10.0 108.261 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . -146.09 -40.73 0.05 OUTLIER Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.542 1.151 . . . . 10.0 111.056 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 63' ' ' GLY . . . -32.13 -38.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.067 -0.813 . . . . 10.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.8 OUTLIER -141.75 -61.56 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.317 -0.994 . . . . 10.0 108.317 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.488 ' CE1' ' O ' ' A' ' 11' ' ' GLY . 40.7 m-70 -51.4 149.38 4.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 10.0 109.593 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.8 mt -121.83 75.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 10.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 10.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 3' ' ' VAL . 1.5 t 57.05 103.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 10.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.55 HG11 ' CE1' ' A' ' 6' ' ' TYR . 2.3 t -114.42 151.4 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 10.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -125.05 99.0 5.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 10.0 110.427 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.55 ' CE1' HG11 ' A' ' 4' ' ' VAL . 4.3 m-30 -86.0 127.75 34.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 10.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -113.44 97.22 6.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 10.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.72 156.46 17.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 10.0 109.341 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -49.15 -54.16 17.63 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.486 1.116 . . . . 10.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.67 -64.65 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 10.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.98 -135.75 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.105 . . . . 10.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -139.62 139.07 36.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 10.0 109.218 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.936 HG23 ' HB2' ' A' ' 65' ' ' CYS . 3.4 p -109.54 -17.17 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 10.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.683 HG22 ' H ' ' A' ' 15' ' ' PHE . 7.0 m 46.43 -174.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 10.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.777 ' CZ ' HG21 ' A' ' 39' ' ' ILE . 26.4 m-85 -164.49 144.25 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 10.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.568 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 5.2 m-20 -129.36 117.34 20.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 10.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -122.34 -65.46 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 10.0 109.589 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 3.9 tttt -65.18 -39.56 93.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.552 1.158 . . . . 10.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.5 -40.29 70.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.568 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -68.29 -53.43 24.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 10.0 109.566 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.94 -39.43 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 10.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 2.2 mt-10 -53.3 -47.65 69.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 10.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -85.22 -52.81 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 10.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.748 HD23 ' CB ' ' A' ' 28' ' ' ALA . 6.7 mp -63.27 -118.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 10.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 158.68 36.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 10.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 67.41 -66.04 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.317 -0.994 . . . . 10.0 108.317 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 25' ' ' GLY . 3.0 p30 -39.97 -29.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 10.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.748 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -61.59 -43.95 97.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 10.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.577 ' N ' ' O ' ' A' ' 26' ' ' CYS . 72.2 m -98.21 -52.57 3.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 10.0 108.29 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 26' ' ' CYS . 5.9 m80 -97.41 -169.9 1.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 10.0 109.632 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 177.63 104.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 10.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.82 -62.65 0.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 m -162.93 114.7 1.08 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 10.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.82 25.87 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.573 1.828 . . . . 10.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -145.19 -48.85 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 10.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.478 ' CD ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -178.95 149.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 10.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.437 ' O ' ' O ' ' A' ' 38' ' ' ALA . 49.4 mt -113.0 -13.74 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 10.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.478 ' HB2' ' CD ' ' A' ' 36' ' ' LYS . . . 48.99 98.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 10.0 109.295 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.777 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 19.1 mm -105.29 126.63 60.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' LYS . 14.2 t0 -178.4 158.96 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 10.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 4.8 ttpt -39.46 140.0 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 10.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER 90.58 -58.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 10.0 109.275 179.961 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -72.39 -67.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 10.0 110.03 179.965 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.777 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -51.66 -21.63 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 10.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -86.34 6.4 30.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 10.0 109.579 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 43' ' ' SER . 19.4 mttt -125.53 -164.48 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 10.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' ALA . 16.0 m-20 -39.26 -33.86 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 10.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -37.45 -83.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.324 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.4 t -95.91 -59.47 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 10.0 108.303 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 2.9 tptm -60.92 98.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 109.231 -179.916 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 52' ' ' CYS . 15.0 t -176.02 -51.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 110.364 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.448 ' N ' HG23 ' A' ' 51' ' ' THR . 1.8 t -76.56 176.26 8.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 108.298 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.418 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 13.5 m80 82.23 -49.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 10.0 109.589 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.513 ' HB3' HG21 ' A' ' 60' ' ' THR . 0.0 OUTLIER -84.24 64.05 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 10.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.3 t -171.22 -46.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 10.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -101.98 -57.72 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 10.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -178.69 117.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 10.0 109.36 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 151.41 157.4 7.86 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 10.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.409 ' CB ' ' HA2' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -74.92 177.69 8.22 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.551 1.817 . . . . 10.0 111.077 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.513 HG21 ' HB3' ' A' ' 54' ' ' LYS . 4.1 t -175.39 -36.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.485 1.115 . . . . 10.0 110.388 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 60' ' ' THR . 2.4 ptpt -36.91 -46.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 10.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -162.74 -51.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 108.299 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.57 42.2 3.13 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.534 1.146 . . . . 10.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.409 ' HA2' ' CB ' ' A' ' 59' ' ' PRO . . . -77.33 -34.62 40.15 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.902 -0.879 . . . . 10.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.936 ' HB2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -130.92 -51.36 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 -179.91 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -53.88 117.77 3.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 10.0 109.518 -179.947 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' A' ' 67' ' ' ILE . 12.7 mm -109.7 120.64 61.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 10.0 109.242 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' ILE . 1.5 ttmp? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 10.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.471 ' O ' HG23 ' A' ' 3' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 . . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 2' ' ' ASP . 2.3 t -153.81 105.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 10.0 109.333 -179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 4' ' ' VAL . 2.6 t -82.45 90.66 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 10.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -77.06 124.88 28.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 10.0 110.444 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.584 ' HB2' HG13 ' A' ' 13' ' ' VAL . 1.1 m-85 -113.88 123.89 50.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 10.0 110.959 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -87.8 128.83 35.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -141.19 174.14 10.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 12.83 25.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 10.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.9 72.09 1.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.425 1.078 . . . . 10.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.17 -127.12 7.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 10.0 111.045 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.24 120.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 10.0 109.39 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.584 HG13 ' HB2' ' A' ' 6' ' ' TYR . 2.6 p -95.49 85.18 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 10.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 14' ' ' THR . 14.9 t -76.26 72.3 3.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 10.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 14' ' ' THR . 1.9 t80 -47.24 176.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.374 1.046 . . . . 10.0 111.058 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.98 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -144.21 124.75 14.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 10.0 109.232 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.27 -59.22 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 10.0 109.627 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -81.24 -40.7 23.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 10.0 109.256 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.98 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -57.0 -38.91 73.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 10.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.569 ' CE1' ' OD2' ' A' ' 16' ' ' ASP . 5.2 m170 -73.98 -65.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 109.534 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.483 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -34.39 -40.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 10.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.2 mm-40 -39.05 -45.77 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 10.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' HIS . 12.2 mmtt -97.64 -43.16 7.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.088 . . . . 10.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.629 ' N ' HD12 ' A' ' 24' ' ' LEU . 3.1 mp -73.3 -109.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 10.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.97 41.1 0.06 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 10.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER 70.9 -55.79 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.323 -0.991 . . . . 10.0 108.323 179.98 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.5 68.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 10.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.611 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -141.02 -55.26 0.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 10.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.91 -13.22 13.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 10.0 108.28 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.479 ' CE1' HD11 ' A' ' 37' ' ' ILE . 49.1 m-70 -103.71 -179.26 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 10.0 109.526 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -179.2 104.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 10.0 110.363 -179.96 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.44 88.87 0.1 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 10.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m 70.49 104.44 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.738 . . . . 10.0 110.421 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 136.13 20.18 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 10.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -151.65 157.92 42.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 10.0 109.276 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.443 ' CE ' ' O ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -43.48 137.43 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.36 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.479 HD11 ' CE1' ' A' ' 30' ' ' HIS . 41.1 mt -111.69 161.85 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 10.0 109.281 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.425 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -93.33 87.12 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 10.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.992 HG23 ' HB2' ' A' ' 44' ' ' ALA . 4.5 mm -118.31 117.58 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 10.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -143.24 -73.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 10.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.39 72.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 10.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.76 -45.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 10.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.857 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -101.48 -38.67 7.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 10.0 109.999 -179.963 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.992 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -56.35 -17.52 8.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 10.0 109.266 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -102.71 4.73 38.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 10.0 109.619 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.32 -154.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 10.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 48' ' ' ALA . 3.5 p-10 -47.14 -36.06 7.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 10.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.857 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -35.86 -47.06 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 10.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.555 ' O ' ' C ' ' A' ' 50' ' ' LYS . 57.5 m -121.4 -110.85 0.33 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 1.165 . . . . 10.0 108.255 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER 27.35 -124.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 10.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 50' ' ' LYS . 44.7 m 33.41 -99.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' HIS . 1.9 t -41.2 -70.14 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 10.0 108.316 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -38.15 -37.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 10.0 109.584 179.964 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' THR . 2.3 mtpt -85.2 51.74 2.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 10.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -149.67 -68.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 10.0 110.021 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -76.79 -68.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -89.56 175.24 7.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 10.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -128.69 76.07 0.41 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.456 1.097 . . . . 10.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.481 ' O ' ' C ' ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.08 3.83 5.31 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 10.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 59' ' ' PRO . 68.4 m -32.36 -66.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 10.0 110.451 179.914 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 139.98 58.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 10.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.407 ' C ' ' N ' ' A' ' 64' ' ' GLY . 77.2 m -44.47 -51.63 8.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 10.0 108.282 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -42.04 -27.59 0.41 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.455 1.097 . . . . 10.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 59' ' ' PRO . . . -52.68 -85.08 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.852 . . . . 10.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.7 m -68.18 -59.81 2.94 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.368 -0.975 . . . . 10.0 108.368 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -70.71 101.69 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 10.0 109.587 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.7 mm -72.71 76.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.406 1.066 . . . . 10.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 10.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 4' ' ' VAL . 2.4 t -143.47 163.14 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 10.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.509 ' CG1' ' CE2' ' A' ' 6' ' ' TYR . 9.9 t -133.93 104.17 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.579 1.174 . . . . 10.0 109.281 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.6 m -122.59 116.39 23.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 10.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.52 ' HB2' HG12 ' A' ' 13' ' ' VAL . 37.7 m-85 -113.53 133.12 55.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.03 118.81 18.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 10.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -104.59 -175.8 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 10.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -69.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.95 57.78 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 10.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 139.45 -155.65 24.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 10.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -177.66 114.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.774 . . . . 10.0 109.305 179.931 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.579 HG22 ' H ' ' A' ' 15' ' ' PHE . 10.9 p -52.5 146.48 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 10.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 15' ' ' PHE . 33.5 m -119.48 26.79 9.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 10.0 110.426 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.579 ' H ' HG22 ' A' ' 13' ' ' VAL . 3.1 t80 -40.96 164.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 10.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.585 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -137.22 163.29 31.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 10.0 109.297 179.955 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.47 -49.44 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 10.0 109.611 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -41.06 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 10.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -59.44 -32.36 70.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 10.0 109.325 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.47 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -82.95 -61.79 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 10.0 109.675 179.955 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.12 -27.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 10.0 109.235 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 20' ' ' HIS . 1.5 mm-40 -42.32 -48.7 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 10.0 110.235 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -103.06 -28.86 11.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 10.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 20' ' ' HIS . 4.8 mp -88.43 -113.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 10.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.47 175.91 28.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 10.0 110.974 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.3 4.03 28.89 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.251 -1.018 . . . . 10.0 108.251 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.96 11.46 25.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 10.0 109.245 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.99 -57.75 2.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 10.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.523 ' CB ' ' CD1' ' A' ' 37' ' ' ILE . 3.6 m -90.99 -31.42 16.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 10.0 108.343 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -101.78 -164.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 10.0 109.591 179.982 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 179.76 85.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 10.0 110.259 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.39 91.74 0.68 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.591 1.182 . . . . 10.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.1 m 63.49 104.99 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 10.0 110.429 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.575 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 18.1 Cg_endo -75.01 -166.68 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 10.0 110.957 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 175.7 -52.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER 178.96 160.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 10.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.523 ' CD1' ' CB ' ' A' ' 29' ' ' CYS . 2.6 mt -127.7 1.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 10.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 43.2 93.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 10.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.87 HG23 ' HB2' ' A' ' 44' ' ' ALA . 8.2 mm -104.7 128.51 58.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 10.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 42' ' ' LYS . 4.0 m-20 -152.78 163.13 40.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 10.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 58.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -151.09 -49.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 10.0 109.311 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.751 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -107.97 -36.35 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 10.0 109.96 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.87 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -57.03 -18.3 13.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 10.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -101.19 3.57 41.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 10.0 109.583 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 1.3 tttp -111.16 -161.55 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 10.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 45.3 t0 -42.82 -27.91 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 10.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -41.72 -58.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 10.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 50' ' ' LYS . 81.1 m -118.52 -52.67 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 10.0 108.275 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -33.25 -78.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 10.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.516 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 2.1 m -32.76 -63.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.477 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -39.72 -77.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 10.0 108.265 179.957 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -43.04 -40.99 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 10.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.78 74.2 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.3 t -176.01 -62.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 10.0 110.025 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -106.35 -58.6 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 10.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -41.37 122.08 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 10.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.45 ' O ' HG23 ' A' ' 60' ' ' THR . . . -57.4 -64.94 3.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.574 1.171 . . . . 10.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.43 ' HB2' ' CA ' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -74.98 96.25 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.792 . . . . 10.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 58' ' ' GLY . 33.1 p -97.75 31.94 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 10.0 110.357 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -155.59 -162.77 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 10.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 12.8 m -46.94 125.78 7.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 10.0 108.306 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.85 -21.1 37.11 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.553 1.158 . . . . 10.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 59' ' ' PRO . . . -75.76 -27.5 62.76 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.011 -0.835 . . . . 10.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.0 m -126.56 -74.01 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -59.32 148.08 33.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 10.0 109.576 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.1 mt -125.16 88.31 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.601 1.188 . . . . 10.0 109.228 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 10.0 109.26 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 80.5 t -129.99 110.76 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 10.0 109.363 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' PHE . 71.0 t -98.71 125.55 52.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 10.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.1 m -131.96 122.88 26.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 10.0 110.399 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.46 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 26.6 m-85 -113.15 117.18 31.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 10.0 110.999 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.39 106.9 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 10.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -98.04 -177.94 3.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 10.0 109.228 -179.948 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -64.12 -68.76 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 10.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -137.22 77.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 10.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.99 -38.41 0.04 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.53 1.144 . . . . 10.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 41.39 88.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 10.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 6' ' ' TYR . 7.5 p -84.45 121.83 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 10.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.5 m -104.63 63.3 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 10.0 110.377 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' VAL . 0.7 OUTLIER -53.02 171.32 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 10.0 111.033 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.868 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 7.1 m-20 -146.18 140.33 26.54 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 10.0 109.305 -179.925 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -104.28 -53.92 2.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 10.0 109.582 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -81.76 -43.54 18.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 10.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.868 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -57.52 -36.46 71.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 10.0 109.304 -179.917 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.406 ' ND1' ' HB2' ' A' ' 16' ' ' ASP . 6.2 m170 -78.4 -64.54 1.15 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 10.0 109.582 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.27 -46.9 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 10.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.11 -28.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 10.0 110.346 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.619 ' C ' HD23 ' A' ' 24' ' ' LEU . 69.6 mmtt -112.89 -20.05 11.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 10.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.846 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.08 -124.56 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 10.0 109.269 179.952 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 169.3 36.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 10.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 65.62 -68.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.292 -1.003 . . . . 10.0 108.292 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 25' ' ' GLY . 81.9 m-20 -35.21 -33.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 10.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . . . -40.99 -41.39 1.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 10.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 m -110.71 -58.62 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 10.0 108.272 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.667 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -85.14 -159.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 10.0 109.6 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.14 122.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 10.0 110.287 -179.912 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.6 -58.5 0.93 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 10.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 m -141.87 106.84 5.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 10.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.728 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -75.01 -91.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.524 1.802 . . . . 10.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 34' ' ' PRO . . . 88.37 -55.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 10.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.18 175.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 10.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mt -138.21 164.84 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 10.0 109.25 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.76 80.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.822 HG23 ' HB2' ' A' ' 44' ' ' ALA . 12.3 mm -107.56 123.5 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 10.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' LYS . 40.3 p30 -161.13 171.44 18.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 10.0 109.386 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 68.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 10.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -173.26 -46.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 10.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.657 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 69.6 m -106.74 -34.0 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 10.0 109.952 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.822 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -58.64 -17.39 21.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 10.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -102.11 2.28 37.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.594 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.4 -155.13 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 10.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -44.43 -29.54 0.71 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.467 1.104 . . . . 10.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -41.34 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 10.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 88.0 m -92.7 -74.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 10.0 108.345 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.99 100.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 174.08 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 10.0 110.375 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.455 ' N ' HG22 ' A' ' 51' ' ' THR . 0.7 OUTLIER -82.24 -42.79 18.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 10.0 108.35 179.995 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.401 ' C ' ' N ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -45.73 -27.53 0.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 10.0 109.574 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -46.19 -25.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 53' ' ' HIS . 16.4 m -97.34 -51.36 4.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 10.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' A' ' 58' ' ' GLY . 4.8 m120 -97.13 124.89 41.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 10.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 51.0 m-80 64.36 -72.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 10.0 109.264 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' ASN . . . 60.35 99.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.469 1.106 . . . . 10.0 111.087 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.404 ' O ' ' OG1' ' A' ' 60' ' ' THR . 18.4 Cg_endo -74.95 163.71 34.87 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.531 1.806 . . . . 10.0 111.059 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 59' ' ' PRO . 1.1 m -175.04 -37.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 10.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.38 20.63 3.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 10.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.2 t 77.99 -58.87 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 10.0 108.337 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.88 48.77 3.95 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 10.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.21 -43.17 3.83 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.6 p -115.88 -41.31 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.274 -1.01 . . . . 10.0 108.274 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -64.55 169.22 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 10.0 109.617 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 91.5 mt -118.41 92.14 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 10.0 109.366 179.951 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 10.0 109.325 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.719 ' HB3' ' CB ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 . . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 16' ' ' ASP . 5.8 m -37.05 151.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' THR . 11.9 t -121.99 69.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 10.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' VAL . 34.3 m -36.88 121.23 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 10.0 110.398 -179.932 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -130.11 95.11 3.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -69.78 156.41 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 10.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 5.9 p30 -159.32 170.83 20.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 10.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -60.5 -49.56 77.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.426 1.079 . . . . 10.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 10.0 109.351 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -136.72 -101.26 0.59 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.439 1.087 . . . . 10.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -160.68 124.33 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 10.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 13' ' ' VAL . 7.5 p -104.2 43.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 10.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.3 m -42.24 99.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 10.0 110.42 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -56.6 -166.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 10.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.583 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 7.6 m-20 -163.55 94.29 0.78 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 10.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.719 ' CB ' ' HB3' ' A' ' 2' ' ' ASP . 0.4 OUTLIER -88.98 -38.24 14.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.583 1.177 . . . . 10.0 109.631 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.648 ' N ' ' HB3' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -61.91 -79.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 10.0 109.274 -179.942 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -37.64 -48.21 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 10.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 3.2 m80 -63.31 -67.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 10.0 109.577 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 17' ' ' HIS . . . -40.59 -34.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 10.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.3 mm-40 -61.0 -46.72 89.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 10.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 20' ' ' HIS . 2.3 mmtp -88.72 -52.66 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 10.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.642 ' N ' HD12 ' A' ' 24' ' ' LEU . 3.0 mp -67.69 -112.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 10.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.459 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 148.44 42.48 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.53 1.143 . . . . 10.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.717 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 70.51 -53.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.378 -0.971 . . . . 10.0 108.378 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' GLY . 1.1 m-20 -57.7 66.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.717 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -150.64 -45.3 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 10.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.511 ' HB3' ' CD1' ' A' ' 37' ' ' ILE . 75.2 m -104.91 -24.91 12.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 10.0 108.321 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.6 ' CD2' ' HB3' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -99.29 -171.84 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 10.0 109.66 179.917 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.7 57.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 10.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.0 99.06 2.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 10.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.7 m 68.93 104.5 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.44 0.729 . . . . 10.0 110.399 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.6 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 18.2 Cg_endo -75.0 -179.07 4.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.454 1.765 . . . . 10.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 173.52 -49.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.481 1.113 . . . . 10.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER 178.44 172.67 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 10.0 109.299 -179.921 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.511 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 1.7 mt -148.48 151.07 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 10.0 109.306 179.942 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.45 96.16 8.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 10.0 109.329 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.469 HG23 ' HB2' ' A' ' 44' ' ' ALA . 37.7 mm -112.74 104.57 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 10.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' LYS . 9.5 p30 -159.09 -177.48 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 10.0 109.357 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -68.88 67.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 10.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' ASP . 76.6 tttt -168.64 -56.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 10.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.896 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -102.22 -33.44 9.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 10.0 109.996 179.983 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.469 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -64.68 -10.34 26.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 10.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.46 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 6.2 m170 -119.91 7.56 10.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 10.0 109.535 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.521 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -143.3 -124.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 10.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.564 ' O ' ' C ' ' A' ' 48' ' ' ALA . 16.9 m-20 -31.48 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 10.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.896 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -26.25 -74.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 10.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.64 ' O ' HG23 ' A' ' 51' ' ' THR . 60.6 m -96.99 -133.04 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 10.0 108.302 179.931 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER 34.74 36.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 10.0 109.251 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 49' ' ' CYS . 1.5 p -132.83 -106.12 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.579 1.175 . . . . 10.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 2.4 t -64.36 102.44 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 10.0 108.314 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.428 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER 168.45 -44.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 10.0 109.591 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.51 ' HG3' HG21 ' A' ' 60' ' ' THR . 1.0 OUTLIER -81.31 66.31 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 10.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.26 -54.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.107 . . . . 10.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -123.71 -71.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 10.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -124.96 101.65 7.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 10.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.5 89.22 0.11 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.542 1.151 . . . . 10.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 53.54 3.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 10.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.51 HG21 ' HG3' ' A' ' 54' ' ' LYS . 5.7 t -90.05 45.17 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 10.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -119.13 37.41 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 10.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.2 t 74.39 147.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 10.0 108.332 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' GLY . . . 75.83 -52.3 2.81 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 10.0 110.987 -179.942 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLY . . . -34.64 -67.72 0.25 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.4 m -68.83 -59.69 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.283 -1.006 . . . . 10.0 108.283 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 68' ' ' LYS . 83.9 m-70 -73.94 96.09 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 10.0 109.554 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.0 mm -63.93 81.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 10.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 66' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 10.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -146.25 -46.69 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 10.0 109.353 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 3' ' ' VAL . 76.6 t -133.45 70.02 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 10.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 73.8 t -53.55 144.03 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 10.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.7 m -136.5 143.71 43.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.497 ' HB2' HG13 ' A' ' 13' ' ' VAL . 5.7 m-85 -136.67 113.91 10.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 10.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.18 115.03 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -99.48 175.33 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 10.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.15 -28.66 25.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 10.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.729 ' HD2' HMA1 ' A' ' 158' ' ' HEC . 2.3 ptpt -121.92 65.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.02 -157.87 14.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.13 . . . . 10.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -152.52 156.09 38.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 10.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.838 HG21 HMD3 ' A' ' 158' ' ' HEC . 8.0 p -128.33 66.82 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 10.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -58.29 98.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 10.0 110.396 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.676 ' CE1' HBB3 ' A' ' 128' ' ' HEC . 68.4 m-85 -73.96 178.49 4.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.471 ' OD1' ' HB3' ' A' ' 19' ' ' ALA . 4.8 m-20 -146.94 133.41 19.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 10.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.535 ' CE1' ' NB ' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -109.92 -59.48 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 10.0 109.626 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -79.69 -50.77 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 10.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.471 ' HB3' ' OD1' ' A' ' 16' ' ' ASP . . . -56.51 -27.94 58.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 10.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.58 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -88.92 -51.29 5.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 10.0 109.612 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -40.08 -29.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 10.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 20' ' ' HIS . 2.5 mt-10 -51.98 -56.32 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 10.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.06 -47.68 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.042 HD22 HMC1 ' A' ' 98' ' ' HEC . 6.6 mp -60.72 -101.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 10.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 128.23 35.14 0.51 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 10.0 111.064 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 64.36 -75.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.328 -0.989 . . . . 10.0 108.328 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 25' ' ' GLY . 16.7 t0 -39.37 -31.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 10.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.68 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -48.21 -37.63 16.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.376 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 1.9 m -111.0 -58.29 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 10.0 108.309 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 27' ' ' ASP . 38.6 m-70 -76.65 173.81 11.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 10.0 109.57 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.01 91.58 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.95 103.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 10.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.0 m 67.4 104.72 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 10.0 110.369 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.583 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.3 Cg_endo -74.98 -172.65 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 10.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 173.12 -55.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HD2' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -177.63 172.08 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 10.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.785 HD12 ' C1D' ' A' ' 98' ' ' HEC . 46.4 mt -132.97 8.04 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 10.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.426 ' HB2' ' HD2' ' A' ' 36' ' ' LYS . . . 39.73 87.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 10.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.029 HG23 ' HB2' ' A' ' 44' ' ' ALA . 7.3 mm -122.18 143.16 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 10.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -172.17 -66.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.5 80.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 10.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 172.26 -49.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 10.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.71 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -92.56 -43.02 9.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 10.0 109.984 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 1.029 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -56.53 -18.56 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 10.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -100.24 4.41 44.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 10.0 109.622 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -113.12 -162.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 10.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 48' ' ' ALA . 44.8 m-20 -40.88 -29.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 10.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.31 -62.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 10.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 94.4 m -102.44 -64.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 10.0 108.323 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 51' ' ' THR . 0.5 OUTLIER -56.38 95.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 10.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER 171.51 -58.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 10.0 110.363 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 14.0 t -102.74 62.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 10.0 108.343 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.607 ' CB ' HG23 ' A' ' 60' ' ' THR . 15.2 m170 -148.95 -46.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 109.557 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.917 ' HG3' HG21 ' A' ' 60' ' ' THR . 43.7 mttt -61.85 80.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 10.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 53' ' ' HIS . 8.7 p 169.69 -50.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 10.0 109.964 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -120.25 173.47 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 7.9 t30 78.08 -66.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 10.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.94 -79.97 0.36 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 10.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.47 1.773 . . . . 10.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.917 HG21 ' HG3' ' A' ' 54' ' ' LYS . 47.5 m -112.52 -23.88 10.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 110.376 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -92.91 -158.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 10.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.677 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 0.1 OUTLIER -44.74 135.8 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 108.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.44 -28.58 14.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 10.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.6 -66.04 2.31 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.746 ' SG ' HMB3 ' A' ' 128' ' ' HEC . 1.0 OUTLIER -87.35 -71.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.328 -0.99 . . . . 10.0 108.328 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -54.58 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 109.607 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 67' ' ' ILE . 11.2 tt -44.86 108.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 10.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 10.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.376 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 0.788 HBC3 HMC1 ' A' ' 128' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.677 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 5.6 m-20 158.12 -28.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 10.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -174.61 129.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 t -111.19 150.17 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 10.0 109.351 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -126.94 117.12 21.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 10.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -111.51 89.79 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 10.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -88.18 124.21 33.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 10.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -130.93 -176.57 4.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 10.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -70.13 -66.98 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.598 1.186 . . . . 10.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -40.24 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 10.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.48 128.04 1.89 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.089 . . . . 10.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -58.57 138.04 57.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.764 . . . . 10.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.51 HG11 ' C2D' ' A' ' 158' ' ' HEC . 4.4 p -119.61 80.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 10.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.2 m -55.4 146.29 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 110.341 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.548 ' CE1' HBB3 ' A' ' 128' ' ' HEC . 5.1 m-30 -114.13 -172.49 2.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.393 1.058 . . . . 10.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.752 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 44.7 m-20 -158.64 127.04 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 10.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.429 ' CD2' ' NB ' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -103.39 -41.31 6.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 10.0 109.581 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -102.77 -26.59 13.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 10.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.752 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -74.91 -25.93 59.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 10.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.422 ' ND1' ' HB2' ' A' ' 16' ' ' ASP . 0.6 OUTLIER -96.96 -56.84 2.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 10.0 109.607 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -39.78 -47.12 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 10.0 109.326 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' ALA . 9.2 pt-20 -37.03 -33.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 10.0 110.232 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' ALA . 12.9 mmtt -109.52 -60.39 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 10.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.026 HD22 HMC1 ' A' ' 98' ' ' HEC . 8.7 mp -41.54 -76.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 10.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.3 14.56 6.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 10.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 74.19 -68.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.358 -0.979 . . . . 10.0 108.358 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.14 -26.58 0.49 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 10.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.818 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -54.75 -38.65 67.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 10.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.678 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 12.8 m -105.96 -57.13 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 10.0 108.335 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.568 ' CE1' ' NA ' ' A' ' 98' ' ' HEC . 54.1 m-70 -79.9 178.79 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 10.0 109.596 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -156.08 96.93 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 10.0 110.32 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 58.9 97.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.438 1.086 . . . . 10.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.4 m 67.63 104.42 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.425 0.721 . . . . 10.0 110.439 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.739 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.93 -175.32 2.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 10.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' HAA1 ' A' ' 98' ' ' HEC . . . -178.35 -50.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 10.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' O ' ' CG1' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -176.64 -172.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 10.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.795 HD12 ' C1D' ' A' ' 98' ' ' HEC . 23.2 mt -154.0 157.64 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 10.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.36 97.55 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 10.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.807 HG13 HMD1 ' A' ' 98' ' ' HEC . 4.8 mm -134.88 112.82 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -166.21 -64.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 10.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' LYS . 17.0 tttt -143.78 -117.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 10.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -36.65 -46.13 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 10.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.696 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 5.1 m -50.4 -63.39 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 10.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.15 -16.83 14.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.092 . . . . 10.0 109.27 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.508 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 14.7 m170 -100.4 1.2 41.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 10.0 109.626 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -107.91 -158.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 10.0 109.289 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.53 -26.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 10.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -41.39 -58.82 1.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 10.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -107.47 -73.08 0.7 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 10.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -47.24 98.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.557 1.161 . . . . 10.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.579 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER -177.44 -72.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 10.0 110.384 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 1.659 ' SG ' ' HAC' ' A' ' 128' ' ' HEC . 16.6 t -93.4 64.48 3.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 10.0 108.313 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.441 ' CD2' ' NC ' ' A' ' 128' ' ' HEC . 0.3 OUTLIER -159.36 -48.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 10.0 109.505 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.627 ' HB3' HG21 ' A' ' 60' ' ' THR . 1.5 pttt -71.18 73.32 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 10.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 t -171.55 -62.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 10.0 109.971 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -97.6 -60.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -40.81 -84.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 10.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.79 -64.28 0.6 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.539 1.149 . . . . 10.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 86.96 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 10.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.627 HG21 ' HB3' ' A' ' 54' ' ' LYS . 11.5 t -105.27 4.51 31.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 10.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 62' ' ' CYS . 8.6 pttt -110.43 -162.97 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 10.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.586 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 0.5 OUTLIER -52.79 154.51 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 10.0 108.315 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLY . . . 84.58 -43.54 3.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 10.0 111.004 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' GLY . . . -37.01 -85.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.029 -0.829 . . . . 10.0 111.029 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.417 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 5.6 p -81.75 -54.68 5.18 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.285 -1.005 . . . . 10.0 108.285 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -60.69 128.68 37.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 10.0 109.659 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.9 mt -132.34 103.66 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 10.0 109.336 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 10.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.678 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.659 ' HAC' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.586 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 17' ' ' HIS . 33.0 m-20 -59.37 -67.3 0.39 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.141 . . . . 10.0 109.354 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 15' ' ' PHE . 7.9 p -85.8 144.13 10.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 10.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 4' ' ' VAL . 59.2 t -125.86 39.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.522 ' H ' HG22 ' A' ' 3' ' ' VAL . 9.9 m -42.21 131.6 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 10.0 110.371 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.523 ' CE1' HBD1 ' A' ' 158' ' ' HEC . 2.2 m-85 -85.78 -173.97 4.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 10.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.26 42.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 10.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -59.91 177.95 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 10.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -99.45 7.73 45.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 10.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.569 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 0.0 OUTLIER -137.82 75.49 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 10.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.92 100.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 10.0 111.052 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -68.77 142.73 54.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.453 0.737 . . . . 10.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.432 HG22 ' HB2' ' A' ' 6' ' ' TYR . 9.6 m -91.47 154.81 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 10.0 109.217 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.0 m -102.75 71.39 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 10.0 110.476 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.921 ' CE1' HBB3 ' A' ' 128' ' ' HEC . 0.2 OUTLIER -44.93 164.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 10.0 110.992 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.533 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 3.7 m-20 -150.6 116.7 5.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 10.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.491 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.2 t-80 -105.08 -50.96 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 10.0 109.566 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 2.3 tttt -89.53 -34.62 16.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 10.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.508 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -65.85 -36.93 84.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 10.0 109.232 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.533 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -79.23 -59.71 2.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 10.0 109.571 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HB1' HBB1 ' A' ' 98' ' ' HEC . . . -39.89 -30.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 10.0 109.236 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.2 mm-40 -47.34 -52.63 15.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 10.0 110.291 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -90.6 -41.59 11.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 10.0 109.276 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.816 HD22 HMC1 ' A' ' 98' ' ' HEC . 5.5 mp -71.74 -108.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 10.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 138.49 40.37 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.448 1.092 . . . . 10.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 70.08 -59.22 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.281 -1.007 . . . . 10.0 108.281 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' GLY . 15.9 m-20 -66.4 62.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 10.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.812 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -142.17 -47.18 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 10.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.406 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 0.1 OUTLIER -116.25 -7.08 11.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 108.334 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.595 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 93.1 m-70 -115.45 -167.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 10.0 109.548 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.34 116.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 10.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.48 -53.07 3.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.563 1.165 . . . . 10.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.4 m -145.96 105.26 4.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 10.0 110.425 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.63 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.96 52.02 2.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 10.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.91 -174.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.66 117.29 16.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 10.0 109.276 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.2 mt -80.32 158.35 4.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 10.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.7 89.65 6.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 10.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.871 HD12 ' HB2' ' A' ' 44' ' ' ALA . 20.2 mm -112.34 137.35 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 10.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 178.49 -50.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 10.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 41' ' ' LYS . 1.6 tttt 178.29 58.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 10.0 109.27 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' LYS . 9.9 ttmt -164.22 -75.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 10.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.791 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -60.96 -49.16 78.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 10.0 110.072 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.871 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -62.48 -13.73 33.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.411 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 7.6 m170 -114.72 3.53 14.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 10.0 109.593 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 42' ' ' LYS . 20.3 tttt -107.89 -106.22 0.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 109.325 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 1.6 m-20 -109.47 -17.27 13.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 10.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.791 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -47.31 -55.9 7.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 10.0 109.316 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 51' ' ' THR . 0.8 OUTLIER -97.29 -67.72 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 10.0 108.269 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -54.89 90.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 10.0 109.226 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 49' ' ' CYS . 1.0 OUTLIER -175.77 -52.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 10.0 110.401 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 1.598 ' SG ' ' HAC' ' A' ' 128' ' ' HEC . 0.5 OUTLIER -80.55 -57.11 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 10.0 108.328 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -48.41 -62.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 10.0 109.604 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -73.02 59.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 10.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -149.69 -47.26 0.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.438 1.086 . . . . 10.0 110.048 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -115.33 -68.73 0.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 10.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -176.98 130.19 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.071 . . . . 10.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.68 -168.04 37.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.566 1.166 . . . . 10.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.05 9.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 10.0 111.039 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.1 t -173.33 46.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 10.0 110.395 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 62' ' ' CYS . 12.4 ptmt -155.01 31.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 10.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.673 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 3.8 t 81.57 -70.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 10.0 108.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.4 58.42 0.64 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.498 1.124 . . . . 10.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.5 -85.57 0.1 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.4 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 8.9 m -62.14 -51.39 68.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.339 -0.985 . . . . 10.0 108.339 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.674 ' CE1' ' C1B' ' A' ' 158' ' ' HEC . 4.2 m-70 -65.6 141.51 58.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 10.0 109.632 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mm -128.14 110.55 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 10.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 10.0 109.343 179.91 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.406 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.598 ' HAC' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.673 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.94 -64.37 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.59 1.181 . . . . 10.0 109.239 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.827 HG13 ' O ' ' A' ' 15' ' ' PHE . 54.8 t -137.77 117.58 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.251 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' PHE . 3.2 t -89.85 158.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 10.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.407 ' N ' ' CG1' ' A' ' 4' ' ' VAL . 52.9 m -130.84 123.65 29.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 10.0 110.483 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.661 ' CD1' ' CGD' ' A' ' 158' ' ' HEC . 0.4 OUTLIER -120.49 93.89 4.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.402 1.064 . . . . 10.0 111.013 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -81.03 134.23 35.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 10.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -134.22 170.4 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 10.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -51.82 -65.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 10.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -47.47 -68.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 10.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.31 -142.65 3.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.471 1.107 . . . . 10.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -148.13 156.73 42.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.796 . . . . 10.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.9 m -129.84 104.19 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.742 HG23 ' O ' ' A' ' 14' ' ' THR . 13.1 t -69.13 83.59 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 10.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.827 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.5 m-30 -47.93 167.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 10.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.544 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 7.5 m-20 -137.24 122.26 19.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 10.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -104.55 -60.86 1.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 10.0 109.598 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -85.22 -31.19 23.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.168 . . . . 10.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.96 -28.92 67.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 10.0 109.321 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.646 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -92.11 -50.3 5.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 10.0 109.548 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -38.94 -30.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 10.0 109.263 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' HIS . 1.9 mt-10 -54.62 -50.3 68.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 10.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 20' ' ' HIS . 10.9 mttt -92.26 -56.42 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 10.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.032 HD22 HMC1 ' A' ' 98' ' ' HEC . 7.3 mp -47.33 -85.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 10.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 118.1 24.28 3.32 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.47 1.106 . . . . 10.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER 67.88 -69.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.319 -0.993 . . . . 10.0 108.319 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' GLY . 69.2 m-20 -39.85 -30.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 10.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.718 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -51.48 -43.63 62.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 10.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.664 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 5.5 m -105.01 -51.38 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 10.0 108.282 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.533 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 4.8 m-70 -97.29 -153.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 10.0 109.658 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -139.52 -156.0 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 10.0 110.359 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.51 -20.67 7.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 10.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.1 m -151.75 107.87 2.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 10.0 110.397 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.795 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.3 Cg_endo -74.99 -164.96 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.516 1.798 . . . . 10.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 176.49 -49.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 10.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.08 -178.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 10.0 109.265 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.608 HD12 ' C2D' ' A' ' 98' ' ' HEC . 19.3 mt -150.51 148.52 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 10.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.52 98.85 11.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 10.0 109.293 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.684 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 3.4 mm -124.1 144.17 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 10.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 9.0 t0 -177.64 -67.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 10.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.52 ' HG3' ' C2A' ' A' ' 158' ' ' HEC . 0.0 OUTLIER -178.37 67.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 10.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -169.48 -65.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 10.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.789 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -76.56 -47.39 22.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 10.0 110.026 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.684 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . . . -55.21 -18.63 6.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 10.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -101.2 6.77 43.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 10.0 109.641 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.431 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -118.08 -162.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 10.0 109.267 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.504 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 2.7 m-20 -43.72 -27.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.23 -54.36 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 10.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.654 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 58.4 m -120.9 -56.2 1.95 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.117 . . . . 10.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -31.8 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 10.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.504 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 2.6 m -33.56 -81.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 110.363 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 1.44 ' SG ' ' CAC' ' A' ' 128' ' ' HEC . 6.9 t -62.49 89.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 10.0 108.262 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.466 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 1.0 OUTLIER 165.04 -60.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 10.0 109.593 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -73.69 67.06 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 10.0 109.249 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -148.65 -45.97 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 10.0 109.995 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -106.84 -68.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 10.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.43 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 2.5 t-20 -174.53 158.53 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.615 1.197 . . . . 10.0 109.356 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' A' ' 57' ' ' ASN . . . 136.33 -152.21 21.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 10.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.502 ' CG ' ' SG ' ' A' ' 65' ' ' CYS . 18.4 Cg_endo -74.96 135.15 18.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 10.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 m -168.79 -39.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 10.0 110.446 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 63' ' ' GLY . 4.9 ptmt -85.86 44.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 10.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.672 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 10.6 t 65.37 -75.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 10.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -61.59 78.74 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.505 1.128 . . . . 10.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -152.4 -67.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.502 ' SG ' ' CG ' ' A' ' 59' ' ' PRO . 89.5 m -72.2 -55.68 6.83 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.285 -1.006 . . . . 10.0 108.285 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.45 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 15.6 m-70 -74.13 89.91 2.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 10.0 109.607 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 67' ' ' ILE . 11.0 tt -44.16 108.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 10.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.664 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.654 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.672 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.467 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -77.08 -49.85 14.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 10.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 15' ' ' PHE . 95.4 t -133.02 126.27 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 15' ' ' PHE . 34.5 m -116.45 147.57 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 10.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.455 HG23 ' OD1' ' A' ' 12' ' ' ASN . 4.9 m -134.75 98.14 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 10.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.468 ' HB2' HG12 ' A' ' 13' ' ' VAL . 95.4 m-85 -69.76 96.23 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 10.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.411 ' HA ' ' CB ' ' A' ' 12' ' ' ASN . 2.6 mt-10 -70.2 121.48 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 10.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 10' ' ' LYS . 26.6 p30 -129.97 -172.38 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 10.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -41.75 30.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 10.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' C ' ' OD1' ' A' ' 8' ' ' ASN . 1.5 mmmt -85.98 48.75 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.318 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.401 ' C ' ' OD1' ' A' ' 8' ' ' ASN . . . 90.92 -126.19 8.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.135 . . . . 10.0 111.056 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.455 ' OD1' HG23 ' A' ' 5' ' ' THR . 12.0 p30 178.27 141.37 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 10.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.719 HG21 HMD3 ' A' ' 158' ' ' HEC . 4.1 p -88.34 122.66 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 10.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.416 ' O ' HG22 ' A' ' 14' ' ' THR . 6.1 m -89.98 74.81 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 10.0 110.455 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.718 ' HE2' HMD2 ' A' ' 98' ' ' HEC . 0.9 OUTLIER -56.35 171.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.961 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 22.1 m-20 -148.41 110.16 4.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 10.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -95.17 -49.5 5.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 10.0 109.546 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -96.15 -14.44 22.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 10.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.961 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -80.6 -25.54 38.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 10.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.62 ' CE1' ' C4D' ' A' ' 128' ' ' HEC . 0.9 OUTLIER -102.17 -56.0 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 10.0 109.587 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.517 ' HB1' HBB1 ' A' ' 98' ' ' HEC . . . -40.67 -44.22 2.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 10.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.49 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 10.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.1 mmmt -117.65 -52.83 2.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 10.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.574 HD11 ' CAC' ' A' ' 128' ' ' HEC . 2.0 mm? -45.41 -86.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 10.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' CYS . . . 128.36 4.52 5.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 10.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.9 m 85.8 -67.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 30' ' ' HIS . 24.8 m-20 -41.35 -27.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 109.367 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.558 ' CB ' HD12 ' A' ' 24' ' ' LEU . . . -50.6 -47.78 58.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 10.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.518 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 1.6 m -102.95 -50.7 3.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.551 1.157 . . . . 10.0 108.307 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' A' ' 27' ' ' ASP . 31.7 m-70 -85.16 -168.42 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 10.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 172.77 98.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 10.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.76 81.76 0.57 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.444 1.09 . . . . 10.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 m 74.46 105.11 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 10.0 110.351 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.679 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.3 Cg_endo -74.99 167.5 26.92 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.395 1.734 . . . . 10.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -173.59 179.09 2.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 10.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -75.85 108.71 8.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 10.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 38' ' ' ALA . 28.8 mt -77.28 164.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 10.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.474 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -81.42 98.44 8.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.586 1.179 . . . . 10.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.819 HG13 HMD1 ' A' ' 98' ' ' HEC . 4.0 mm -120.27 135.78 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 10.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER 165.57 173.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 10.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -37.78 135.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 10.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER 89.82 -73.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 10.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.703 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 2.7 m -53.56 -62.13 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 10.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.571 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -57.47 -17.17 11.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.571 1.17 . . . . 10.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.556 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 27.0 m170 -100.55 0.84 40.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 10.0 109.614 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -106.98 -154.84 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 10.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -53.55 -23.35 10.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -41.13 -56.23 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 109.248 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 m -109.29 -60.19 1.8 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 10.0 108.233 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 51' ' ' THR . 6.8 mtpt -55.26 98.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 109.368 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.584 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 168.75 -72.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 10.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.584 ' N ' HG22 ' A' ' 51' ' ' THR . 1.2 t -72.88 -8.47 55.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 10.0 108.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.4 ' ND1' ' HA2' ' A' ' 58' ' ' GLY . 1.4 m170 -98.42 27.56 4.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 10.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -107.1 -50.69 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 10.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 t -83.39 51.51 2.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 10.0 110.042 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 175.74 -163.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 10.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 58' ' ' GLY . 73.0 m-20 -61.46 -69.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 10.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . 37.59 91.59 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.428 1.08 . . . . 10.0 111.024 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 59.79 5.3 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.449 1.762 . . . . 10.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.512 ' HA ' HMC1 ' A' ' 158' ' ' HEC . 9.3 t -85.9 44.54 1.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 10.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -114.71 28.61 8.61 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.579 1.174 . . . . 10.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.644 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 0.5 OUTLIER 88.04 -74.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 10.0 108.269 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.05 66.5 0.68 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.471 1.107 . . . . 10.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.0 -49.73 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.396 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 0.0 OUTLIER -98.81 -44.11 6.5 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.346 -0.983 . . . . 10.0 108.346 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.613 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 49.4 m-70 -88.06 104.79 16.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.395 1.06 . . . . 10.0 109.543 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 21.1 mt -102.72 96.92 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 10.0 109.348 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 10.0 109.253 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.518 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 0.842 HBC3 HMC1 ' A' ' 128' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.644 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.417 ' C ' ' CG ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.417 ' CG ' ' C ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -169.94 81.34 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 10.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 4' ' ' VAL . 59.7 t 63.92 161.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 10.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 4' ' ' VAL . 98.1 t -144.01 58.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 10.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 t -40.47 160.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 10.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.504 ' OH ' ' CGD' ' A' ' 98' ' ' HEC . 0.8 OUTLIER -143.59 111.09 5.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 10.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.28 127.68 32.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 10.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -141.23 -179.36 6.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 10.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -90.7 -37.88 13.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 10.0 109.353 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -101.22 51.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 10.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.9 141.93 1.07 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 10.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 12.4 p30 -73.92 149.0 41.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.805 . . . . 10.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' THR . 3.6 p -91.67 76.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' VAL . 1.9 m -38.03 111.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 10.0 110.378 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.652 ' HE2' HMD2 ' A' ' 98' ' ' HEC . 1.3 m-85 -84.5 -170.72 3.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 10.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.594 ' CB ' ' CG ' ' A' ' 20' ' ' HIS . 23.0 m-20 -153.37 110.29 3.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 10.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.6 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -109.17 -57.18 2.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 10.0 109.6 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.65 -47.56 10.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 10.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.488 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -59.28 -26.0 64.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 10.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.597 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -93.58 -50.37 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 10.0 109.623 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -45.52 -42.29 10.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 10.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -50.74 -23.98 3.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 10.0 110.287 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -116.34 -65.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 10.0 109.344 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.036 HD22 HMC1 ' A' ' 98' ' ' HEC . 8.8 mp -38.64 -76.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 10.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.418 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 120.06 8.43 8.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.403 1.065 . . . . 10.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.425 ' C ' ' N ' ' A' ' 28' ' ' ALA . 1.1 m 76.13 -62.58 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' HIS . 8.8 p-10 -43.44 -27.62 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 10.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.761 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -53.71 -40.73 66.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.507 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 4.0 m -105.05 -56.55 2.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 10.0 108.35 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.493 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 35.9 m-70 -85.52 -175.92 5.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 10.0 109.606 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 178.27 100.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 10.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.71 75.08 1.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 10.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.4 m 67.2 105.44 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.747 . . . . 10.0 110.405 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.912 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.5 Cg_endo -74.97 149.21 36.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 10.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.43 ' O ' HAA1 ' A' ' 98' ' ' HEC . . . -141.26 -45.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 10.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.27 -176.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 10.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.663 HD12 ' C2D' ' A' ' 98' ' ' HEC . 4.5 mt -142.95 157.71 17.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.76 78.12 4.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 10.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.622 HG13 HMD1 ' A' ' 98' ' ' HEC . 27.3 mm -104.54 137.34 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.401 1.063 . . . . 10.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER 168.83 158.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 10.0 109.337 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 38.0 tttt -38.98 136.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 10.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 15.2 tttm 90.88 -68.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 10.0 109.234 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.61 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 33.1 m -59.16 -59.84 4.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 10.0 110.008 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.576 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -58.62 -17.11 19.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 10.0 109.371 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -98.83 -1.27 40.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 10.0 109.61 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.416 ' C ' ' N ' ' A' ' 48' ' ' ALA . 2.7 tttt -103.7 -158.56 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 10.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' ALA . 4.0 m-20 -46.66 -25.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 10.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.06 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 10.0 109.344 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.464 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 70.5 m -95.98 -67.96 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 10.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 51' ' ' THR . 0.7 OUTLIER -53.67 102.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.394 1.059 . . . . 10.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER 168.85 -59.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 10.0 110.367 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -52.47 65.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 10.0 108.287 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -56.75 -42.15 78.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 10.0 109.539 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -51.5 -30.25 19.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 10.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.5 t -52.32 -64.99 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 10.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -105.57 -76.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 10.0 109.375 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -169.37 159.73 8.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 10.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.25 -160.64 34.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 10.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.449 ' HB3' ' CA ' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -74.99 74.11 4.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 10.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.0 m -79.25 -43.34 23.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 10.0 110.377 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.41 ' CG ' ' N ' ' A' ' 62' ' ' CYS . 0.4 OUTLIER -97.02 -172.86 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 10.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.41 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -63.53 -177.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 10.0 108.321 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.71 28.82 3.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 10.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.449 ' CA ' ' HB3' ' A' ' 59' ' ' PRO . . . -107.12 -66.34 0.63 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.084 -0.806 . . . . 10.0 111.084 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.78 -64.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.285 -1.006 . . . . 10.0 108.285 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -56.1 160.29 2.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 10.0 109.603 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.1 mt -123.04 102.9 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 10.0 109.362 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.4 tttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 10.0 109.338 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.507 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.464 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.052 ' HHC' HBB2 ' A' ' 158' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.4 OUTLIER 158.97 -32.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 10.0 109.28 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 15' ' ' PHE . 14.5 p -172.16 128.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 10.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.477 HG12 ' CZ ' ' A' ' 6' ' ' TYR . 33.9 t -118.44 65.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 10.0 109.365 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.8 m -71.54 113.89 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 10.0 110.373 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.477 ' CZ ' HG12 ' A' ' 4' ' ' VAL . 37.1 m-85 -98.54 120.68 39.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.398 1.061 . . . . 10.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -88.52 115.91 26.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 10.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -116.58 -172.58 2.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 10.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -36.78 23.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 10.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.05 50.77 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 10.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.83 -124.55 7.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 10.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.424 ' O ' HD12 ' A' ' 67' ' ' ILE . 8.7 p-10 177.03 153.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 10.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.483 HG21 HMD3 ' A' ' 158' ' ' HEC . 0.7 OUTLIER -109.24 114.48 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 10.0 109.283 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.63 ' O ' HG22 ' A' ' 14' ' ' THR . 8.4 m -81.04 51.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 10.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.686 ' O ' HG23 ' A' ' 3' ' ' VAL . 83.5 t80 -46.61 168.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 10.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.447 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 20.6 m-20 -147.91 147.8 30.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 10.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.95 -54.61 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 10.0 109.551 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -85.52 -45.84 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 10.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.13 -29.3 65.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.549 1.156 . . . . 10.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.951 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -85.77 -52.61 5.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 10.0 109.582 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.11 -29.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 10.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 20' ' ' HIS . 1.3 mm-40 -47.11 -58.48 3.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 10.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -89.34 -47.38 8.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 10.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.043 HD22 HMC1 ' A' ' 98' ' ' HEC . 1.4 mp -49.6 -87.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 26' ' ' CYS . . . 122.92 5.95 7.95 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.464 1.102 . . . . 10.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.8 m 83.82 -69.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.318 -0.993 . . . . 10.0 108.318 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -41.75 -28.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 10.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.814 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -50.21 -42.6 51.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 10.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.378 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 2.5 m -107.14 -54.35 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 10.0 108.355 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.47 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 47.2 m-70 -82.79 -176.85 6.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 10.0 109.579 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -160.63 112.62 1.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 10.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 44.34 92.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 10.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.0 m 69.6 105.15 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 10.0 110.363 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.83 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.4 Cg_endo -75.02 -163.18 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 10.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 177.42 -58.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 10.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -177.2 172.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 10.0 109.279 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.453 HD12 ' C1D' ' A' ' 98' ' ' HEC . 5.7 mt -143.22 158.78 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 10.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.95 93.58 4.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 10.0 109.349 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.058 HD12 ' HB2' ' A' ' 44' ' ' ALA . 13.8 mm -123.3 139.62 49.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 10.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -171.93 -60.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 10.0 109.268 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.523 ' HA ' ' CE1' ' A' ' 45' ' ' HIS . 4.1 tmtt? -177.87 66.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 10.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.63 -77.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 10.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.755 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -66.81 -49.34 66.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 10.0 110.066 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 1.058 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -57.01 -17.55 10.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.593 1.183 . . . . 10.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.523 ' CE1' ' HA ' ' A' ' 41' ' ' LYS . 60.2 m80 -98.56 0.61 45.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 10.0 109.628 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -111.3 -164.88 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 10.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.476 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 7.3 m-20 -39.53 -29.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 10.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.16 -54.45 2.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 10.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.722 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 3.7 m -123.64 -48.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 10.0 108.373 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 49' ' ' CYS . 2.8 mmtt -37.13 -55.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 10.0 109.321 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.476 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 6.8 m -68.16 -57.26 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 10.0 110.428 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.537 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 3.0 t -73.92 96.86 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 108.343 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER 162.76 -36.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 10.0 109.642 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -101.59 60.26 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 109.36 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.71 -49.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 10.0 109.951 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.33 -61.85 1.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 10.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 0.5 OUTLIER -166.29 123.58 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 10.0 109.253 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 175.99 158.72 20.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.579 1.174 . . . . 10.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.477 ' HG2' ' CA ' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -75.01 138.87 23.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 10.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -144.52 16.58 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 10.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -28.59 54.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 10.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.709 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 44.1 t -177.23 -106.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 10.0 108.317 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . -56.89 -71.78 0.68 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 10.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.477 ' CA ' ' HG2' ' A' ' 59' ' ' PRO . . . 68.65 -57.86 0.49 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.015 -0.834 . . . . 10.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.381 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 2.2 p -88.97 -1.22 58.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -96.48 139.37 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 10.0 109.595 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.424 HD12 ' O ' ' A' ' 12' ' ' ASN . 3.3 mp -102.36 91.18 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 10.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 10.0 109.241 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.378 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.722 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.709 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -40.93 -54.5 2.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 10.0 109.35 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.7 t -110.49 156.4 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 10.0 109.37 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.473 HG11 ' CZ ' ' A' ' 6' ' ' TYR . 79.7 t -134.51 146.97 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 10.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.17 124.4 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 10.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.473 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 59.7 m-85 -118.26 133.87 55.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 10.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -87.98 143.72 26.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 10.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -154.64 170.06 22.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 10.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -102.19 26.21 7.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 10.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.56 59.95 0.69 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 10.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.84 139.11 0.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 10.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.38 138.29 38.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 10.0 109.313 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 13' ' ' VAL . 10.8 p -113.48 60.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 10.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -55.43 127.42 29.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 10.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.999 ' CZ ' HBB3 ' A' ' 128' ' ' HEC . 2.5 m-30 -101.88 -179.73 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.391 1.057 . . . . 10.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.473 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 61.1 m-20 -143.11 133.81 25.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 10.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -107.87 -58.7 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 10.0 109.588 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.12 -33.73 16.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 10.0 109.262 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.33 66.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 10.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -88.13 -52.52 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 10.0 109.645 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -41.04 -29.35 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 10.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 20' ' ' HIS . 2.8 mt-10 -49.32 -51.2 35.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.168 . . . . 10.0 110.307 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.24 -40.5 10.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 10.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.976 HD22 HMC1 ' A' ' 98' ' ' HEC . 6.2 mp -68.69 -105.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 10.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.526 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 133.83 40.19 0.19 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 10.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 61.83 -77.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 25' ' ' GLY . 7.2 m-20 -38.35 -41.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 10.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.896 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -39.38 -38.13 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 10.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.575 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 0.6 OUTLIER -111.8 -59.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 10.0 108.242 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 73.5 m-70 -68.02 -162.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 10.0 109.607 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -166.67 95.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 10.0 110.374 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.36 96.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.535 1.147 . . . . 10.0 111.013 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.7 m 68.39 104.82 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 10.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.809 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.5 Cg_endo -75.0 -172.99 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.585 1.834 . . . . 10.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -176.14 -52.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 10.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -179.88 -177.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 10.0 109.322 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.487 HD12 ' C2D' ' A' ' 98' ' ' HEC . 23.3 mt -154.33 142.81 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 10.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.474 ' HB3' ' HB2' ' A' ' 43' ' ' SER . . . -70.98 94.44 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 10.0 109.294 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.674 HG22 ' O2D' ' A' ' 158' ' ' HEC . 32.3 mm -116.86 110.65 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 10.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -172.56 -70.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 10.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -167.3 65.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 10.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.58 -72.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 10.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.8 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -77.51 -35.08 53.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 10.0 109.993 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.579 ' HB1' ' CMD' ' A' ' 158' ' ' HEC . . . -62.45 -11.76 17.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 10.0 109.237 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -122.2 7.63 9.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 10.0 109.576 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 47' ' ' ASP . 16.6 mtpt -137.18 -119.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 10.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.508 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -37.2 -71.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.399 1.062 . . . . 10.0 109.259 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -31.82 -76.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.454 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 62.1 m -91.26 -132.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 10.0 108.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' CYS . 1.6 mmtt 37.32 32.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 10.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 52' ' ' CYS . 10.9 t -152.53 166.21 32.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 10.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.616 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 10.9 t 34.82 71.9 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 10.0 108.294 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 6.7 m-70 178.69 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 10.0 109.634 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.925 ' HA ' HG21 ' A' ' 60' ' ' THR . 25.1 mtmt -40.17 -31.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 10.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -111.76 -66.46 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.075 . . . . 10.0 109.963 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -53.73 157.57 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 10.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.26 -71.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 10.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 132.31 -69.07 0.54 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.491 1.119 . . . . 10.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 121.0 6.3 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.522 1.801 . . . . 10.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.925 HG21 ' HA ' ' A' ' 54' ' ' LYS . 80.8 p -115.48 -39.87 3.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 10.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -73.12 -149.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 10.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.714 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 0.5 OUTLIER -54.19 168.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 10.0 108.3 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 49.85 31.28 16.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.432 1.083 . . . . 10.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.78 -62.15 0.65 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.923 -0.871 . . . . 10.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.392 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 1.2 p -108.64 -51.89 2.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.262 -1.014 . . . . 10.0 108.262 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -51.91 135.1 30.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 10.0 109.564 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.1 mt -89.24 94.84 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 10.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 10.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.575 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.454 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.714 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.14 -19.12 24.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 10.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.3 t -141.58 144.57 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 10.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.522 ' HB ' ' CD1' ' A' ' 15' ' ' PHE . 4.8 t -136.29 57.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 10.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.3 m -69.68 103.27 2.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 10.0 110.347 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.478 ' HB2' HG22 ' A' ' 13' ' ' VAL . 46.6 m-85 -81.9 119.95 24.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 10.0 111.085 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -97.53 128.67 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 10.0 110.352 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -136.28 177.33 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 10.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -19.46 52.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.48 52.27 0.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 10.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.65 -141.7 15.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 10.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.3 p30 174.01 128.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 10.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.478 HG22 ' HB2' ' A' ' 6' ' ' TYR . 2.8 m -85.92 132.0 33.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 10.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.638 ' O ' HG22 ' A' ' 14' ' ' THR . 18.0 m -89.04 38.85 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 10.0 110.317 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.673 ' CD2' HBB2 ' A' ' 128' ' ' HEC . 20.2 t80 -43.93 155.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 10.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.753 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 3.6 m-20 -141.22 150.68 42.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -109.99 -52.01 2.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 10.0 109.642 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.04 -37.13 13.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 10.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.753 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -67.79 -24.45 65.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 10.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.592 ' CD2' HBC3 ' A' ' 98' ' ' HEC . 0.1 OUTLIER -88.52 -48.6 7.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 10.0 109.625 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.561 ' HB1' ' CBB' ' A' ' 98' ' ' HEC . . . -46.78 -53.99 10.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 10.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -50.92 -21.4 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 10.0 110.327 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.652 ' C ' HD23 ' A' ' 24' ' ' LEU . 15.9 mmmt -102.16 -28.5 12.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 10.0 109.233 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.829 HD12 HMC1 ' A' ' 98' ' ' HEC . 1.4 mt -97.72 -121.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 10.0 109.369 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 174.15 35.34 0.04 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.476 1.11 . . . . 10.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.384 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.0 OUTLIER 61.85 -74.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -42.88 -26.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 10.0 109.379 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.529 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -56.65 -39.76 74.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 10.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.427 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 61.6 m -105.81 -51.49 2.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 10.0 108.272 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.517 ' CE1' ' NA ' ' A' ' 98' ' ' HEC . 37.4 m-70 -91.52 -172.76 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 10.0 109.572 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 175.48 111.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 10.0 110.299 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.76 -62.14 0.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.108 . . . . 10.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -160.68 113.77 1.35 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 10.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.527 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.2 Cg_endo -75.05 117.97 5.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 10.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.419 ' O ' HAA1 ' A' ' 98' ' ' HEC . . . -129.98 -44.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 10.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -179.92 158.6 0.77 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 10.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.87 HD12 ' C1D' ' A' ' 98' ' ' HEC . 17.1 mt -121.85 -0.43 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 10.0 109.355 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 48.34 96.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 10.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.887 HG13 HMD1 ' A' ' 98' ' ' HEC . 18.0 mm -119.48 135.84 58.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 10.0 109.236 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.96 -69.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.082 . . . . 10.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -178.4 52.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.505 1.128 . . . . 10.0 109.353 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.94 -79.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 10.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.77 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -50.74 -49.4 57.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 10.0 110.023 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.619 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -57.23 -17.11 10.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 10.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -101.02 0.74 38.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 10.0 109.544 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -109.53 -157.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 10.0 109.231 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.8 OUTLIER -47.97 -29.65 3.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 10.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.12 -61.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 10.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 51' ' ' THR . 88.7 m -122.51 -102.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 10.0 108.362 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER 35.51 -93.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 10.0 109.308 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.558 ' N ' ' O ' ' A' ' 49' ' ' CYS . 37.5 p -39.82 -66.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 38.1 t -49.73 95.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 10.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.538 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER 160.29 -29.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 10.0 109.615 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -76.65 55.95 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 10.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.4 t -137.04 -69.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 10.0 109.984 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -87.2 -64.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 10.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -87.8 -178.65 6.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.39 65.34 0.53 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.434 1.084 . . . . 10.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 54.55 3.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 10.0 111.01 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.5 m -65.38 -61.7 1.96 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 10.0 110.459 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 62' ' ' CYS . 1.8 ptmt -75.86 153.52 36.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 10.0 109.364 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.668 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 83.6 m -41.62 -53.01 3.66 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.464 1.103 . . . . 10.0 108.216 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 62' ' ' CYS . . . -36.78 -32.07 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.137 . . . . 10.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -47.55 -75.61 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.923 -0.871 . . . . 10.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.474 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 9.1 m -76.78 -58.09 3.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.247 -1.02 . . . . 10.0 108.247 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.634 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 30.5 m-70 -78.05 91.08 4.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 10.0 109.588 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.6 mm -56.66 90.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.441 1.088 . . . . 10.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 66' ' ' HIS . 5.9 mmtp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 10.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.427 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 0.798 HMB1 HMD3 ' A' ' 158' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.668 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.643 ' HB1' ' CG2' ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.319 -0.622 . . . . 10.0 109.319 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.411 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 0.9 OUTLIER 55.8 47.33 20.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 10.0 109.287 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 40.5 t 70.05 127.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.395 1.059 . . . . 10.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.643 ' CG2' ' HB1' ' A' ' 1' ' ' ALA . 85.0 t -122.8 152.56 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 10.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -118.16 114.83 23.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 10.0 110.358 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.518 ' CD1' ' O1D' ' A' ' 158' ' ' HEC . 29.3 m-85 -116.89 80.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 10.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.34 139.03 58.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 10.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -138.25 160.96 38.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 10.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.97 -59.69 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 10.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.443 ' HD2' HMB3 ' A' ' 158' ' ' HEC . 0.0 OUTLIER -40.82 -79.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 10.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.4 -85.56 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.567 1.167 . . . . 10.0 110.977 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 179.05 135.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 10.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG21 ' C2D' ' A' ' 158' ' ' HEC . 13.3 p -114.45 45.6 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 10.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 m -42.51 120.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.567 ' CD2' HBB3 ' A' ' 128' ' ' HEC . 5.5 m-85 -77.11 177.19 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.369 1.043 . . . . 10.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.564 ' HB2' ' CD2' ' A' ' 20' ' ' HIS . 11.9 m-20 -143.79 126.58 16.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.366 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 2.1 t-80 -122.34 -62.47 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 10.0 109.646 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -27.28 39.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 10.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -80.94 -22.08 39.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 10.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.618 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -99.46 -43.22 6.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 10.0 109.573 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.545 ' HB2' ' HHC' ' A' ' 98' ' ' HEC . . . -62.71 -12.34 23.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 10.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -72.45 -26.14 61.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.069 . . . . 10.0 110.307 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.501 ' CE ' HAD2 ' A' ' 128' ' ' HEC . 0.0 OUTLIER -118.83 -41.12 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 10.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.076 HD22 HMC1 ' A' ' 98' ' ' HEC . 10.0 mp -57.31 -79.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.439 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 120.56 16.14 4.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 10.0 111.033 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.7 OUTLIER 76.05 -61.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.276 -1.009 . . . . 10.0 108.276 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -45.87 -26.43 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 10.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.7 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -60.37 -38.68 84.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 10.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.57 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 19.0 m -104.25 -54.56 2.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 10.0 108.333 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CE1' HD11 ' A' ' 37' ' ' ILE . 61.2 m-70 -89.79 -174.64 4.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 10.0 109.579 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -176.38 100.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 10.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.48 87.53 0.2 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.413 1.071 . . . . 10.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.4 m 70.94 103.93 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 10.0 110.389 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.628 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.2 Cg_endo -75.08 168.11 25.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 10.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -172.92 172.76 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 10.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -65.09 108.94 2.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 10.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.585 HD12 ' C2D' ' A' ' 98' ' ' HEC . 82.7 mt -72.3 164.64 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 10.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.49 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -99.57 91.44 4.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 10.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.404 HG23 ' HB2' ' A' ' 44' ' ' ALA . 2.6 mm -105.67 138.41 30.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.14 . . . . 10.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER 176.8 173.58 0.42 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 10.0 109.329 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 59.78 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 10.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -157.41 -52.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 10.0 109.346 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.775 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -103.23 -36.37 8.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 10.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.618 ' HB1' HMD2 ' A' ' 158' ' ' HEC . . . -54.94 -18.94 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 109.308 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -101.4 7.42 42.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 10.0 109.569 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -119.13 -161.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 0.7 OUTLIER -41.41 -29.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 10.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.91 -53.77 2.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 10.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.9 m -121.62 -53.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 10.0 108.273 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' O ' ' C ' ' A' ' 51' ' ' THR . 4.8 mttt -33.56 -78.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 10.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.577 HG22 ' N ' ' A' ' 52' ' ' CYS . 1.2 m -27.2 -85.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 10.0 110.384 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.577 ' N ' HG22 ' A' ' 51' ' ' THR . 9.0 t -61.42 83.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 10.0 108.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.486 ' HB3' ' CG ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER 166.97 -39.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 10.0 109.62 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -83.39 69.79 10.07 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 10.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.35 -54.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 10.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.4 -66.29 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 10.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -67.36 -78.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 10.0 109.268 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.89 79.04 1.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.429 1.08 . . . . 10.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.01 7.72 2.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.506 1.793 . . . . 10.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.506 ' C ' ' O ' ' A' ' 59' ' ' PRO . 32.2 m -30.28 -64.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 10.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -65.48 144.23 57.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 10.0 109.356 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.608 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 61.7 m -50.39 -43.55 54.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 10.0 108.282 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.71 -21.0 4.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.411 1.07 . . . . 10.0 111.016 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' A' ' 59' ' ' PRO . . . -60.86 -74.05 0.42 Allowed Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.045 -0.822 . . . . 10.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.377 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 1.2 m -75.56 -61.83 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.234 -1.024 . . . . 10.0 108.234 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.425 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 68.4 m-70 -80.0 90.97 5.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 10.0 109.577 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.474 ' H ' HD12 ' A' ' 67' ' ' ILE . 3.8 mp -49.7 103.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 109.231 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tttt . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 10.0 109.343 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.57 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 0.85 HBC3 HMC1 ' A' ' 128' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.608 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.717 ' HB1' HG22 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 65.32 78.43 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 10.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 15' ' ' PHE . 65.7 t 66.51 91.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 10.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.717 HG22 ' HB1' ' A' ' 1' ' ' ALA . 29.5 t -76.71 170.01 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.385 1.053 . . . . 10.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.532 ' N ' HG12 ' A' ' 4' ' ' VAL . 4.3 m -142.06 110.27 5.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.557 1.161 . . . . 10.0 110.369 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -109.64 82.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 10.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.88 134.18 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 10.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 11' ' ' GLY . 25.0 p30 -149.75 -171.52 3.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 10.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -34.2 14.22 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 10.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -86.43 51.65 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 10.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.462 ' O ' ' ND2' ' A' ' 8' ' ' ASN . . . 64.64 135.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.445 1.091 . . . . 10.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.61 140.32 56.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 10.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 13' ' ' VAL . 5.6 p -104.17 57.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 10.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' VAL . 4.0 m -37.54 111.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 10.0 110.431 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.952 ' CZ ' HMD2 ' A' ' 98' ' ' HEC . 2.8 t80 -81.19 171.3 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.503 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 4.9 m-20 -137.94 122.2 18.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 10.0 109.311 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.444 ' CE1' ' NB ' ' A' ' 98' ' ' HEC . 1.8 t-80 -113.3 -47.61 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 10.0 109.551 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -87.11 -58.59 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 10.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.1 -29.8 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 10.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.775 ' HD1' HBC3 ' A' ' 98' ' ' HEC . 0.0 OUTLIER -75.85 -50.47 15.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 10.0 109.605 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB1' HBB1 ' A' ' 98' ' ' HEC . . . -60.83 -32.23 71.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 10.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -46.12 -44.27 15.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 10.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -104.27 -30.4 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 10.0 109.227 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.769 ' CD2' HBC2 ' A' ' 128' ' ' HEC . 1.7 mp -93.94 -115.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 10.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.705 ' O ' HMC3 ' A' ' 98' ' ' HEC . . . 164.42 -161.98 34.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 10.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.381 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.2 OUTLIER -100.58 -27.96 13.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.361 -0.977 . . . . 10.0 108.361 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.37 -13.26 59.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 10.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.82 -48.69 65.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 10.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.591 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 26.5 m -103.07 -42.05 5.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 10.0 108.31 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.528 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 2.5 m-70 -102.23 -142.88 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 10.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.68 -160.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 10.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.23 -22.08 3.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 10.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.1 m -150.98 106.84 3.02 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 10.0 110.354 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.7 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.5 Cg_endo -74.93 -163.17 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 10.0 111.088 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.427 ' O ' HAA1 ' A' ' 98' ' ' HEC . . . 179.55 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 10.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -179.69 171.77 1.17 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 10.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.0 mt -146.13 145.4 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 10.0 109.298 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.18 109.9 20.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 10.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.577 HG13 HMD1 ' A' ' 98' ' ' HEC . 10.7 mm -118.21 139.28 46.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 10.0 109.228 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 42' ' ' LYS . 19.9 p-10 175.83 160.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 10.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.34 70.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 10.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -170.48 -51.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 10.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.614 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 6.0 m -103.76 -34.97 8.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 10.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.91 -16.98 20.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 10.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -100.21 -1.42 36.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 10.0 109.555 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.14 -155.61 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 10.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.43 -23.89 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 10.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -41.03 -65.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 10.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.84 -70.58 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 10.0 108.286 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.46 100.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 10.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 179.91 -42.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.07 . . . . 10.0 110.361 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.45 -47.58 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 10.0 108.297 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.577 ' CE1' ' HD2' ' A' ' 59' ' ' PRO . 8.5 m170 -41.4 -54.79 2.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 10.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.87 79.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 10.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' HIS . 3.0 t 174.97 -34.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 10.0 110.016 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -136.78 171.71 14.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 10.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -50.95 121.52 6.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 10.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 173.69 179.78 44.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 10.0 111.075 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.577 ' HD2' ' CE1' ' A' ' 53' ' ' HIS . 18.4 Cg_endo -74.96 117.74 5.02 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.519 1.799 . . . . 10.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 m -119.29 -52.85 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 1.182 . . . . 10.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -111.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.484 ' HB2' HBB1 ' A' ' 158' ' ' HEC . 37.9 t -138.32 -54.7 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 10.0 108.295 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.9 58.93 0.75 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 10.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.56 -52.34 0.07 OUTLIER Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.467 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 71.3 m -81.75 -55.2 4.78 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.258 -1.015 . . . . 10.0 108.258 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.53 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 52.4 m-70 -80.98 119.66 23.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 10.0 109.647 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.5 mt -100.39 119.33 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 10.0 109.283 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 10.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.591 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 0.789 HBB3 ' CE2' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.467 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.539 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 3.6 m-20 86.32 -15.66 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 10.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.9 172.75 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 10.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 4' ' ' VAL . 24.5 t -142.13 72.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 10.0 109.346 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.5 m -43.96 155.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 10.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.565 ' CD1' ' O1D' ' A' ' 158' ' ' HEC . 0.3 OUTLIER -161.75 38.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 10.0 111.026 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.39 160.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 10.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.05 158.16 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 109.317 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -60.16 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 10.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.92 -72.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 10.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.01 -102.92 0.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 10.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -178.18 141.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 0.725 . . . . 10.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.588 HG21 ' C2D' ' A' ' 158' ' ' HEC . 8.7 p -127.64 64.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 10.0 109.304 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -58.25 116.69 3.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 10.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CD2' HBB3 ' A' ' 128' ' ' HEC . 10.4 m-85 -76.25 -172.34 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 10.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.928 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -154.64 116.45 4.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 10.0 109.349 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -94.52 -54.58 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 10.0 109.582 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -83.08 -41.25 18.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 10.0 109.298 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.928 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -53.93 -29.25 41.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.648 ' HB3' HD13 ' A' ' 24' ' ' LEU . 12.5 m170 -98.06 -64.75 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 10.0 109.601 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -37.02 -38.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 10.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.01 -38.8 3.72 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 10.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.789 ' HD2' HMD2 ' A' ' 128' ' ' HEC . 0.0 OUTLIER -110.07 -55.98 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 10.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.112 HD22 HMC1 ' A' ' 98' ' ' HEC . 9.2 mp -39.21 -78.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 10.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 121.53 10.4 6.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 10.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.721 ' SG ' ' HAB' ' A' ' 98' ' ' HEC . 1.8 m 81.79 -53.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.241 -1.022 . . . . 10.0 108.241 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -68.61 60.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 10.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.51 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -135.4 -49.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 10.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.401 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 0.1 OUTLIER -111.94 -17.27 12.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.075 . . . . 10.0 108.267 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -100.62 -172.9 2.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 10.0 109.664 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.88 116.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 10.0 110.25 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.07 95.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 10.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.4 m 67.37 104.45 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 10.0 110.411 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.596 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.1 Cg_endo -75.02 124.59 8.73 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.801 . . . . 10.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.79 168.17 20.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 10.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.6 116.06 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 10.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.0 mt -83.58 145.01 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 10.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.35 86.28 3.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 10.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.625 HG13 HMD1 ' A' ' 98' ' ' HEC . 6.6 mm -104.46 141.76 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 10.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 42' ' ' LYS . 4.3 p-10 171.56 165.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 10.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 42' ' ' LYS . 3.4 ttpt -55.0 86.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 10.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER 176.9 -53.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 10.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.725 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -105.67 -36.8 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 10.0 109.985 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.633 ' HB1' HMD2 ' A' ' 158' ' ' HEC . . . -56.19 -18.65 10.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.435 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 13.8 m170 -97.96 3.61 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -114.75 -164.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 10.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.507 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 4.6 t0 -40.89 -28.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 10.0 109.338 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -38.09 -57.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 10.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' LYS . 92.8 m -122.45 -50.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 10.0 108.31 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' CYS . 1.4 mmtp -34.13 -73.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 10.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.507 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 1.4 m -34.71 -80.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 10.0 110.384 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 8.9 t -59.42 101.09 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 10.0 108.255 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 59' ' ' PRO . 0.6 OUTLIER 160.38 -45.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 10.0 109.607 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -75.18 59.03 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 10.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -131.28 -52.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 10.0 110.009 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -106.0 -66.83 0.97 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.51 1.131 . . . . 10.0 109.321 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -101.24 -59.22 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 10.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.32 69.3 1.41 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 10.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.553 ' HG2' ' CE1' ' A' ' 53' ' ' HIS . 18.4 Cg_endo -75.05 56.38 4.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.783 . . . . 10.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.441 ' HA ' ' CMC' ' A' ' 158' ' ' HEC . 44.6 p -110.39 63.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 10.0 110.422 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 63' ' ' GLY . 4.4 pttt -159.87 43.71 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 10.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.681 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 0.9 OUTLIER 68.25 -73.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 10.0 108.27 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -49.15 -23.26 3.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 10.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.94 -74.29 0.34 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.037 -0.825 . . . . 10.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.387 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 0.3 OUTLIER -91.69 -68.36 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.271 -1.011 . . . . 10.0 108.271 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -51.9 150.01 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 10.0 109.629 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.1 mm -123.45 138.85 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 10.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 10.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.721 ' HAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 0.849 HBC3 HMC1 ' A' ' 128' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.681 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.813 ' O ' HG23 ' A' ' 3' ' ' VAL . 2.6 p-10 -59.53 -12.31 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 10.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 2' ' ' ASP . 2.3 t -164.81 142.34 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 10.0 109.36 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 4' ' ' VAL . 89.0 t -130.88 70.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 10.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 m -74.93 93.67 2.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 10.0 110.433 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.473 ' CG ' HBD2 ' A' ' 158' ' ' HEC . 23.3 m-85 -65.49 120.34 12.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 10.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -100.22 113.96 27.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 10.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -125.94 -175.25 3.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 10.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -101.6 38.54 1.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 10.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.85 -64.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 10.0 109.368 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 12' ' ' ASN . . . -152.83 -44.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.523 1.139 . . . . 10.0 110.981 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER 82.44 120.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 0.785 . . . . 10.0 109.261 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 6' ' ' TYR . 5.5 m -91.18 136.22 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 10.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.613 ' O ' HG22 ' A' ' 14' ' ' THR . 12.8 m -92.19 50.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 110.415 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.712 ' CE1' HBB2 ' A' ' 128' ' ' HEC . 53.1 t80 -42.49 166.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 10.0 110.989 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.834 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 3.6 m-20 -149.74 129.63 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 10.0 109.242 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.451 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -102.0 -45.96 5.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.379 1.049 . . . . 10.0 109.573 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -32.5 21.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 10.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.834 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -69.76 -33.48 72.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 10.0 109.232 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.568 ' CE1' ' CHA' ' A' ' 128' ' ' HEC . 0.4 OUTLIER -85.36 -57.3 3.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 10.0 109.608 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 22' ' ' GLU . . . -39.99 -59.95 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 21' ' ' ALA . 17.5 pt-20 -33.44 -39.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 10.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -96.43 -64.32 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 10.0 109.342 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.051 HD22 HMC1 ' A' ' 98' ' ' HEC . 8.3 mp -45.45 -79.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 10.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.439 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 121.03 15.12 4.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.379 1.049 . . . . 10.0 110.959 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.0 OUTLIER 77.14 -63.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.254 -1.017 . . . . 10.0 108.254 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -44.66 -25.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 10.0 109.209 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.682 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -58.95 -43.49 91.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 10.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.402 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 33.4 m -102.66 -50.15 3.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 10.0 108.315 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 36.3 m-70 -99.65 -151.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 10.0 109.638 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' CG ' ' N ' ' A' ' 32' ' ' GLY . 1.2 pt-20 -156.35 -142.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 110.27 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.439 ' N ' ' CG ' ' A' ' 31' ' ' GLU . . . -54.89 -28.76 48.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 10.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -143.22 106.87 5.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 10.0 110.365 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.658 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -75.04 -172.74 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.533 1.807 . . . . 10.0 111.053 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 166.48 166.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 10.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -65.32 110.51 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 10.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.9 mt -82.52 -11.21 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 10.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 60.4 90.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 10.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.879 HG23 ' HB2' ' A' ' 44' ' ' ALA . 4.8 mm -98.04 125.06 51.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 10.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.2 m-20 155.33 154.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 10.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 40' ' ' ASP . 14.0 mttm 82.21 -150.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 10.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.25 50.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 10.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.712 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 49.1 m -128.49 -60.66 1.11 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 10.0 109.987 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.879 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -56.61 -17.88 10.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 10.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.618 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 22.4 m170 -96.52 -0.71 48.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 10.0 109.638 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 48' ' ' ALA . 6.5 mttt -109.0 -163.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.477 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 8.9 p-10 -45.21 -24.46 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 10.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.712 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.48 -53.98 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 10.0 109.339 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.507 ' O ' ' C ' ' A' ' 50' ' ' LYS . 69.7 m -125.38 -53.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 10.0 108.313 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 49' ' ' CYS . 1.2 mttt -32.25 -71.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.603 1.189 . . . . 10.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.477 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 1.2 m -35.44 -70.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 10.0 110.418 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 1.1 t -75.49 81.76 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 10.0 108.314 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.45 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.7 OUTLIER 166.41 -31.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 10.0 109.659 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -61.1 -45.17 95.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 10.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 99.8 p -92.07 43.56 1.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 10.0 110.018 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.92 -172.7 2.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -124.72 122.09 36.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.12 -125.91 4.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.561 1.163 . . . . 10.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.484 ' C ' HG22 ' A' ' 60' ' ' THR . 18.3 Cg_endo -74.92 143.67 29.61 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.447 1.761 . . . . 10.0 111.042 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.484 HG22 ' C ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER 170.58 -31.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 10.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 63' ' ' GLY . 30.6 pttt -79.98 52.92 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 10.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.526 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 44.6 t 64.88 -75.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 10.0 108.349 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -67.22 60.66 0.24 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.545 1.153 . . . . 10.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.476 ' CA ' ' HB3' ' A' ' 59' ' ' PRO . . . -129.84 -53.61 0.1 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.972 -0.851 . . . . 10.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.39 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 2.7 m -81.64 -41.87 20.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.334 -0.987 . . . . 10.0 108.334 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.509 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 59.7 m-70 -95.98 94.42 7.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 10.0 109.686 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 tt -67.39 178.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 10.0 109.226 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 10.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.402 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 0.899 HMB3 ' HAC' ' A' ' 158' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.526 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.466 ' N ' ' ND1' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -168.78 -42.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 10.0 109.238 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 3' ' ' VAL . 7.5 p -174.03 74.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 10.0 109.317 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.1 t -56.63 157.43 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 10.0 109.263 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -135.71 125.41 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 10.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -124.26 88.38 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.428 1.08 . . . . 10.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.06 134.72 36.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 2.8 p30 -134.53 -176.33 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 10.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -62.65 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 10.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.17 -86.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 10.0 109.371 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -148.96 122.95 1.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.573 1.171 . . . . 10.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -45.28 146.79 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 0.722 . . . . 10.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.686 HG11 HBD2 ' A' ' 158' ' ' HEC . 13.0 p -125.66 52.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 10.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -47.92 116.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 10.0 110.416 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.774 ' CD1' HBB3 ' A' ' 128' ' ' HEC . 61.3 m-85 -75.18 -172.15 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 10.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.505 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 56.0 m-20 -149.65 125.28 10.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 10.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.466 ' ND1' ' N ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -109.59 -63.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 10.0 109.562 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.54 -47.69 18.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 10.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.508 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -58.12 -27.49 63.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 10.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.505 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -90.38 -53.49 4.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.557 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 23' ' ' LYS . . . -42.17 -50.01 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 10.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -41.67 -27.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 21' ' ' ALA . 15.5 mmtm -106.11 -54.81 2.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 10.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.044 HD22 HMC1 ' A' ' 98' ' ' HEC . 6.0 mp -61.32 -106.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 10.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.528 ' O ' ' CB ' ' A' ' 26' ' ' CYS . . . 158.51 -47.15 0.44 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.451 1.094 . . . . 10.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.533 ' SG ' ' CMB' ' A' ' 98' ' ' HEC . 1.3 m 156.45 -66.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.327 -0.99 . . . . 10.0 108.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.454 ' HA ' ' O ' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -41.07 -28.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 10.0 109.351 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.811 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -39.47 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 10.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.484 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -100.52 -22.02 15.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.454 ' O ' ' HA ' ' A' ' 27' ' ' ASP . 86.2 m-70 -107.11 -160.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 10.0 109.608 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -148.81 -149.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 10.0 110.268 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.77 -18.95 54.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 10.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.3 m -154.84 109.13 2.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 10.0 110.438 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.921 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.3 Cg_endo -74.97 -163.63 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 10.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 171.34 -57.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 10.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.07 156.56 1.04 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 10.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.546 HD12 ' C1D' ' A' ' 98' ' ' HEC . 36.3 mt -130.16 146.05 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 10.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.5 106.72 19.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 10.0 109.292 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.723 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 8.1 mm -116.16 121.27 67.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 10.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.53 172.18 12.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 10.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -70.37 60.43 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 10.0 109.366 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.32 -49.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 10.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.755 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -107.62 -36.45 6.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.596 1.185 . . . . 10.0 110.03 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.505 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -56.32 -18.43 10.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 10.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -99.64 5.58 45.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 10.0 109.64 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 48' ' ' ALA . 1.3 mmtt -116.77 -165.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 10.0 109.278 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.484 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 73.0 m-20 -39.46 -29.49 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 10.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.52 -57.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.179 . . . . 10.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 50' ' ' LYS . 57.3 m -120.42 -51.59 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 10.0 108.351 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -33.74 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 10.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.484 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 1.5 m -32.92 -75.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 10.0 110.35 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 2.6 t -71.62 85.53 0.89 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 10.0 108.335 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.473 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER 165.19 -46.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 10.0 109.613 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.18 67.77 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 10.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.7 t -173.39 -60.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 10.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -88.68 -177.66 5.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 10.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -59.84 104.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 10.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.61 -155.43 8.2 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 10.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 162.78 36.54 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.447 1.762 . . . . 10.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 178.99 -35.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 10.0 110.361 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -91.41 36.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 10.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.7 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 42.6 t 41.98 87.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 108.323 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.23 -31.71 0.65 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.608 1.192 . . . . 10.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.24 -35.81 3.87 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.676 ' SG ' HMB3 ' A' ' 128' ' ' HEC . 0.8 OUTLIER -93.36 -45.03 8.0 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.337 -0.986 . . . . 10.0 108.337 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.58 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 19.1 m-70 -97.12 102.61 14.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.407 1.067 . . . . 10.0 109.638 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 mt -70.9 96.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.6 tptt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 10.0 109.286 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.484 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 0.831 HBC3 HMC1 ' A' ' 128' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.7 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.928 ' H3 ' ' HD1' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 t0 168.86 -51.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 10.0 109.269 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 15' ' ' PHE . 14.4 p -164.98 146.68 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 10.0 109.241 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.829 HG11 ' CGD' ' A' ' 98' ' ' HEC . 56.0 t -137.04 64.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.421 1.075 . . . . 10.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.699 ' OG1' HG23 ' A' ' 14' ' ' THR . 17.2 m -61.19 153.8 25.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 10.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -134.3 168.29 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 10.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -122.34 120.13 33.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 10.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -106.82 178.67 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 10.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -41.1 17.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 10.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.48 51.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.396 1.06 . . . . 10.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.93 -153.85 16.63 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.429 1.08 . . . . 10.0 110.96 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -151.66 131.85 13.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 10.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.429 ' CG2' HMB2 ' A' ' 128' ' ' HEC . 7.3 p -100.08 126.89 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 10.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.699 HG23 ' OG1' ' A' ' 5' ' ' THR . 19.9 m -101.4 133.32 46.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 10.0 110.357 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.571 ' CE2' HBB3 ' A' ' 128' ' ' HEC . 7.1 m-85 -98.06 -178.57 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 10.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.978 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 62.9 m-20 -156.55 111.03 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 10.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.928 ' HD1' ' H3 ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -92.59 -49.33 6.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 10.0 109.623 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -44.82 12.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 10.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.978 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -52.41 -29.14 22.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 10.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.648 ' CE1' ' C4D' ' A' ' 128' ' ' HEC . 0.6 OUTLIER -94.27 -57.43 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 10.0 109.558 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -40.65 -50.9 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 10.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -38.03 -30.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 10.0 110.376 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -102.36 -53.51 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 10.0 109.287 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.992 HD23 ' HB3' ' A' ' 28' ' ' ALA . 5.4 mp -65.23 -102.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 10.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 26' ' ' CYS . . . 130.51 43.32 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 10.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.389 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.0 OUTLIER 51.37 102.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.356 -0.979 . . . . 10.0 108.356 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 163.41 -29.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.992 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -74.25 -27.06 60.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 10.0 109.353 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.39 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 5.2 m -113.75 -47.92 2.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 10.0 108.326 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' CE1' HD11 ' A' ' 37' ' ' ILE . 16.9 m-70 -99.92 178.67 4.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 10.0 109.635 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 170.88 74.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 10.0 110.257 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.7 -48.78 0.95 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 10.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.7 m -147.35 106.5 3.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.736 . . . . 10.0 110.449 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.624 ' O ' HMA3 ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.96 86.17 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.57 1.826 . . . . 10.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.401 ' C ' HAA1 ' A' ' 98' ' ' HEC . . . -111.31 179.77 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 10.0 109.351 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.425 ' N ' HAA1 ' A' ' 98' ' ' HEC . 0.0 OUTLIER -70.6 113.14 7.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.716 HD12 ' C2D' ' A' ' 98' ' ' HEC . 41.0 mt -76.07 159.95 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 10.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -99.82 91.92 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.792 HG23 ' HB2' ' A' ' 44' ' ' ALA . 11.1 mm -104.29 133.03 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 10.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER 173.15 163.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 10.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -31.69 134.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 10.0 109.257 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 13.9 tttm 91.29 -68.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -57.12 -65.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 10.0 109.97 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.792 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -55.23 -18.0 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 10.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -95.17 8.43 43.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 10.0 109.638 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' SER . 7.0 ttpt -120.5 -149.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 10.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -39.68 -43.65 1.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -32.26 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 10.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.647 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 85.7 m -107.91 -104.01 0.35 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 10.0 108.313 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER 39.48 -90.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 10.0 109.334 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.584 ' N ' ' O ' ' A' ' 49' ' ' CYS . 7.7 t -38.88 -53.41 1.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 10.0 110.361 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.508 ' N ' ' CG2' ' A' ' 51' ' ' THR . 0.0 OUTLIER -53.89 165.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 10.0 108.282 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.566 ' CE1' ' C1B' ' A' ' 128' ' ' HEC . 35.9 m80 72.32 -58.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.599 1.187 . . . . 10.0 109.508 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -62.98 77.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER 177.08 -50.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 10.0 110.011 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -99.08 -73.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 10.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.446 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 7.5 t-20 -179.93 160.46 0.89 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.525 1.141 . . . . 10.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.446 ' N ' ' CG ' ' A' ' 57' ' ' ASN . . . 127.89 -132.96 7.62 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 10.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 18.3 Cg_endo -75.02 110.51 3.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 10.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t -129.8 -43.9 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 10.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -61.5 -119.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 10.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.749 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 18.1 t -102.22 -76.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 10.0 108.357 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . -60.05 -82.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 10.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.19 -60.28 0.09 OUTLIER Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.708 ' SG ' ' HAC' ' A' ' 158' ' ' HEC . 0.0 OUTLIER -86.03 -54.16 4.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.458 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 78.3 m-70 -63.14 129.79 41.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.109 . . . . 10.0 109.564 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.4 mm -87.45 75.26 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 10.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.7 pttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 10.0 109.31 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.39 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.647 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.749 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.989 ' O ' HG23 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.513 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 0.6 OUTLIER 42.14 33.81 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 10.0 109.337 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.735 HG12 ' O ' ' A' ' 3' ' ' VAL . 4.5 t 65.97 76.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 10.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.989 HG23 ' O ' ' A' ' 1' ' ' ALA . 5.1 t -98.92 163.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 10.0 109.218 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.495 ' N ' ' CG1' ' A' ' 4' ' ' VAL . 5.3 m -143.57 93.48 2.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 10.0 110.367 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.666 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 24.3 m-85 -68.95 161.29 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 10.0 111.006 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' ASN . 11.4 mt-10 -139.91 41.66 1.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 10.0 110.37 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 7' ' ' GLU . 9.4 p30 -47.38 173.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 10.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -90.76 18.05 6.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 10.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.79 51.16 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 10.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.02 -132.32 10.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 10.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -175.16 146.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 10.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.531 HG11 ' C2D' ' A' ' 158' ' ' HEC . 4.3 p -131.9 91.28 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 10.0 109.388 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -68.15 130.29 42.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 10.0 110.398 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.824 ' CZ ' HMD1 ' A' ' 158' ' ' HEC . 5.5 m-85 -97.89 165.62 11.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 10.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.608 ' O ' HBC3 ' A' ' 98' ' ' HEC . 30.9 m-20 -140.17 121.97 15.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 10.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.581 ' CE1' ' C4B' ' A' ' 98' ' ' HEC . 6.0 t-80 -128.93 -63.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 10.0 109.609 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -38.05 89.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 10.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.79 -44.92 19.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 10.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.631 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.88 -46.06 86.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 10.0 109.608 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.513 ' HB1' HBB2 ' A' ' 98' ' ' HEC . . . -42.94 -57.23 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 10.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -45.2 -25.56 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 10.0 110.25 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' HIS . 5.6 tttt -106.77 -76.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 10.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.063 HD22 HMC1 ' A' ' 98' ' ' HEC . 9.1 mp -34.69 -86.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 10.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 124.36 31.68 0.89 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.458 1.098 . . . . 10.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.481 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 65.1 -75.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.355 -0.98 . . . . 10.0 108.355 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' GLY . 5.2 m-20 -34.56 -40.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 10.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.866 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -39.97 -38.74 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 10.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.579 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 1.8 m -111.35 -60.02 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 10.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.546 ' CE1' HD11 ' A' ' 37' ' ' ILE . 14.5 m-70 -84.57 -159.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 10.0 109.679 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 30' ' ' HIS . 1.2 tt0 172.52 118.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 10.0 110.27 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.03 -58.52 5.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 10.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.1 m -148.81 108.34 3.5 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 10.0 110.424 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.566 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.3 Cg_endo -74.97 160.4 40.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 10.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -178.08 162.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 10.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.62 125.07 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 10.0 109.32 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.546 HD11 ' CE1' ' A' ' 30' ' ' HIS . 45.3 mt -95.76 -10.65 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 37' ' ' ILE . . . 73.07 100.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 10.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.628 HG21 ' CE2' ' A' ' 15' ' ' PHE . 20.1 mm -116.19 129.63 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 10.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -160.08 -75.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 10.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.85 76.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 10.0 109.351 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 173.76 -68.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 10.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.645 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -67.65 -43.91 79.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 10.0 109.957 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.453 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -58.3 -17.16 17.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 10.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -98.6 -2.12 39.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 10.0 109.639 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -104.2 -161.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 10.0 109.356 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 48' ' ' ALA . 9.8 t70 -41.53 -28.84 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 10.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.57 -70.29 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 10.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.67 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 0.1 OUTLIER -102.74 -64.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 10.0 108.315 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HG2' HBC2 ' A' ' 158' ' ' HEC . 4.3 mttt -54.64 90.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 10.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER 176.54 -59.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 10.0 110.422 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 1.425 ' SG ' ' CAC' ' A' ' 128' ' ' HEC . 0.3 OUTLIER -88.83 -52.5 5.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 10.0 108.294 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.578 ' CE1' ' C1B' ' A' ' 128' ' ' HEC . 0.0 OUTLIER -44.59 -40.82 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 10.0 109.642 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -78.13 80.76 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 10.0 109.229 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.05 -46.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 110.0 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -104.99 -87.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 10.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -53.47 -33.49 54.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 10.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' HD3' ' A' ' 59' ' ' PRO . . . 59.65 62.89 5.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.466 1.104 . . . . 10.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.0 1.26 7.94 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.787 . . . . 10.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' PRO . 3.3 m -37.2 -69.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 10.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.63 136.96 54.6 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 10.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.677 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 0.6 OUTLIER -41.69 153.99 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 10.0 108.256 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.63 -24.69 26.72 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 10.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.2 -44.25 89.0 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.408 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 59.7 m -113.75 -63.23 1.48 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.277 -1.008 . . . . 10.0 108.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.632 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 36.3 m-70 -77.12 100.81 5.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 10.0 109.577 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 67' ' ' ILE . 8.9 mt -89.06 66.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 10.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.17 . . . . 10.0 109.295 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.579 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.67 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.677 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' A' ' 18' ' ' LYS . 9.9 t0 69.22 -55.86 0.56 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.545 1.153 . . . . 10.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 15' ' ' PHE . 7.7 p -135.46 123.16 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.416 HG12 ' CE2' ' A' ' 6' ' ' TYR . 22.8 t -106.81 79.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 10.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -75.96 117.67 17.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 10.0 110.373 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.477 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 10.2 m-85 -111.94 104.22 12.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 10.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -60.35 117.4 5.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 10.0 110.364 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -98.6 -176.06 3.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 10.0 109.234 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -58.92 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 10.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -114.39 64.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.74 -170.19 31.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 10.0 111.054 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.31 106.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 10.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.771 HG11 ' O1D' ' A' ' 158' ' ' HEC . 8.3 p -85.3 123.07 39.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 10.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.509 ' O ' HG22 ' A' ' 14' ' ' THR . 19.5 m -103.25 58.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 10.0 110.437 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 1.16 ' CE1' HBB2 ' A' ' 128' ' ' HEC . 0.9 OUTLIER -45.48 164.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 10.0 111.017 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.702 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 45.5 m-20 -138.79 133.99 32.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 10.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -107.43 -42.61 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 10.0 109.61 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.482 ' CB ' ' HA ' ' A' ' 2' ' ' ASP . 26.1 tttm -99.33 -28.48 13.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 10.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.702 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -72.47 -31.4 65.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 10.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.522 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -87.38 -53.07 5.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 10.0 109.649 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -38.39 -31.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 10.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' HIS . 2.4 mt-10 -53.21 -55.08 27.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 10.0 110.33 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' HIS . 6.9 mmtp -86.86 -54.9 4.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 10.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.049 HD22 HMC1 ' A' ' 98' ' ' HEC . 7.2 mp -48.97 -82.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 118.89 21.55 3.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 10.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 m 69.41 -67.2 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.308 -0.997 . . . . 10.0 108.308 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' GLY . 4.9 m-20 -44.85 -29.53 0.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 10.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.754 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -53.14 -36.5 60.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 10.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.644 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 57.1 m -110.43 -56.37 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 10.0 108.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -84.21 -176.72 6.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 10.0 109.675 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.2 101.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 10.0 110.294 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.04 87.93 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 10.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.4 m 71.69 104.27 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.493 0.761 . . . . 10.0 110.42 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.656 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.93 165.5 31.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 10.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -166.31 -174.08 2.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 10.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 1.4 pttt -83.3 105.47 14.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 10.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 38' ' ' ALA . 46.2 mt -75.99 166.81 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 10.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.51 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -60.05 -118.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 10.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.903 ' CD1' HBB1 ' A' ' 128' ' ' HEC . 0.9 OUTLIER 69.06 136.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 10.0 109.364 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER 162.22 -51.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 10.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' A' ' 43' ' ' SER . 15.5 mttt -135.06 -131.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 10.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -39.55 -30.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 10.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.77 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 5.3 m -55.63 -61.76 2.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.494 1.121 . . . . 10.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.777 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -58.48 -15.52 11.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 10.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -95.96 -3.85 44.37 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 10.0 109.598 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.7 -164.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 10.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.9 OUTLIER -46.61 -25.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 10.0 109.34 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.96 -56.19 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 10.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.413 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 4.4 t -108.56 -70.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 10.0 108.375 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -46.13 97.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 10.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.6 OUTLIER -178.14 -44.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 10.0 110.385 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.6 t -121.26 59.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 10.0 108.281 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -146.3 -45.48 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 10.0 109.623 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.33 77.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 10.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -164.86 -55.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 10.0 110.03 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -117.18 -60.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 10.0 109.233 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.64 -66.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 10.0 109.378 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 54.07 100.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.516 1.135 . . . . 10.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 61' ' ' LYS . 18.2 Cg_endo -75.06 -93.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 10.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.5 m 69.09 -57.63 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 10.0 110.473 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 59' ' ' PRO . 7.8 mttt -74.85 -0.32 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 10.0 109.229 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.431 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 0.1 OUTLIER 82.83 -53.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 10.0 108.255 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 64' ' ' GLY . . . -40.68 -26.64 0.14 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 10.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 62' ' ' CYS . . . -35.35 -65.81 0.41 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.018 -0.833 . . . . 10.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.1 p -117.84 -53.86 2.37 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.248 -1.019 . . . . 10.0 108.248 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.573 ' CE1' ' C1D' ' A' ' 158' ' ' HEC . 0.2 OUTLIER -63.62 114.45 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 10.0 109.619 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.597 HG23 ' O ' ' A' ' 67' ' ' ILE . 13.7 tt -55.34 102.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 10.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 10.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.644 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.413 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.431 ' CAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.56 ' H3 ' ' HB2' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 0.1 OUTLIER 54.64 38.61 30.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 10.0 109.253 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 42.0 t 66.49 110.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 10.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.49 HG11 ' HE1' ' A' ' 6' ' ' TYR . 46.6 t -131.47 159.69 42.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 10.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 ' OG1' ' A' ' 14' ' ' THR . 93.5 m -131.65 117.88 19.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 10.0 110.429 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.49 ' HE1' HG11 ' A' ' 4' ' ' VAL . 3.3 m-85 -106.62 98.73 8.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 10.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.23 111.93 13.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 10.0 110.243 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -110.8 175.31 5.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 10.0 109.251 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -79.08 -44.87 21.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 10.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -91.59 52.07 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 10.0 109.225 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.99 -138.48 14.48 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 10.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 176.64 135.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 10.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.544 HG21 HMD3 ' A' ' 158' ' ' HEC . 8.3 p -107.67 120.21 58.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 109.305 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.498 ' OG1' HG23 ' A' ' 5' ' ' THR . 22.5 m -105.39 107.37 18.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 10.0 110.394 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.707 ' CE2' HG21 ' A' ' 39' ' ' ILE . 3.5 m-30 -67.52 154.58 41.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 10.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.893 ' O ' HBC3 ' A' ' 98' ' ' HEC . 1.2 m-20 -131.26 113.66 14.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 10.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.56 ' HB2' ' H3 ' ' A' ' 1' ' ' ALA . 3.5 t-160 -117.83 -63.04 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 10.0 109.564 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.8 OUTLIER -67.3 -46.81 72.46 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 10.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.36 -39.2 82.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.601 ' CD2' ' HB2' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -76.18 -62.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 10.0 109.631 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HB1' HBB2 ' A' ' 98' ' ' HEC . . . -36.68 -35.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.402 1.064 . . . . 10.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.5 mm-40 -43.35 -54.36 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 10.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -111.74 -51.27 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 10.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.794 HD22 ' HB1' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -45.69 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 10.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.822 ' O ' HMC3 ' A' ' 98' ' ' HEC . . . 137.39 -169.41 24.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.577 1.173 . . . . 10.0 110.942 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.377 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 1.8 m -89.63 -64.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.274 -1.01 . . . . 10.0 108.274 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.32 -28.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.794 ' HB1' HD22 ' A' ' 24' ' ' LEU . . . -40.12 -59.21 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 10.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.385 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.8 OUTLIER -103.24 -42.09 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 10.0 108.311 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 34' ' ' PRO . 11.4 m-70 -93.14 -153.47 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 10.0 109.617 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -154.03 -131.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 10.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.24 -11.86 68.16 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.542 1.151 . . . . 10.0 111.022 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 m -148.97 106.11 3.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 10.0 110.412 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.531 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.97 165.81 30.55 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.481 1.779 . . . . 10.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 175.04 166.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 10.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' CG ' ' H ' ' A' ' 38' ' ' ALA . 2.2 ttmt -59.85 127.52 32.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 10.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 38' ' ' ALA . 20.0 mt -96.36 32.57 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 10.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 37' ' ' ILE . . . 28.9 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 10.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.707 HG21 ' CE2' ' A' ' 15' ' ' PHE . 21.5 mm -85.05 116.64 28.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 10.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' ALA . 2.0 m-20 178.25 170.01 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 10.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' SER . 6.5 mtpp -39.14 151.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 10.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 41' ' ' LYS . 16.4 mttt 68.1 -69.01 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 10.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -53.2 -70.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 10.0 109.882 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.64 ' HB1' HMD2 ' A' ' 158' ' ' HEC . . . -56.73 -18.19 11.67 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 10.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -92.2 2.36 56.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 10.0 109.587 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 48' ' ' ALA . 2.7 mttp -111.55 -162.9 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 10.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 48' ' ' ALA . 5.5 m-20 -39.54 -29.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 10.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' LYS . . . -37.0 -63.1 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 10.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.648 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 0.1 OUTLIER -101.99 -77.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 10.0 108.273 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB2' ' CD ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -39.31 98.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 10.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' CYS . 1.6 t -176.11 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 10.0 110.435 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 53' ' ' HIS . 1.5 t -105.9 -66.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 10.0 108.367 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' CYS . 8.0 m170 -37.65 -49.15 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 10.0 109.586 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HG2' HG23 ' A' ' 60' ' ' THR . 2.2 mtpm? -77.53 64.92 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 10.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -177.08 -48.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 10.0 109.97 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' ASN . 4.9 t30 -102.39 -62.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 10.0 109.343 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 56' ' ' ASN . 1.3 m-20 -43.17 164.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 10.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.422 ' N ' ' CD ' ' A' ' 59' ' ' PRO . . . -75.32 -55.72 5.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.094 . . . . 10.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.442 ' HB2' ' N ' ' A' ' 64' ' ' GLY . 18.4 Cg_endo -74.99 174.32 12.98 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.489 1.783 . . . . 10.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.514 HG23 ' HG2' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -141.36 -45.71 0.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 10.0 110.398 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLY . 1.6 ptpt -118.18 132.36 56.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 10.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.629 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 80.6 m 66.6 -77.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 10.0 108.275 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -50.26 -20.87 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 10.0 111.069 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.442 ' N ' ' HB2' ' A' ' 59' ' ' PRO . . . -63.54 -93.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.027 -0.829 . . . . 10.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.6 m -66.91 -59.64 3.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.316 -0.994 . . . . 10.0 108.316 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -63.14 146.26 53.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 10.0 109.591 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 67' ' ' ILE . 92.6 mt -137.96 74.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 10.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 10.0 109.254 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.385 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.648 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.629 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 163.61 -61.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 10.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.2 p -155.67 69.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 10.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.527 HG12 ' H ' ' A' ' 5' ' ' THR . 12.2 t -59.12 171.33 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 10.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.527 ' H ' HG12 ' A' ' 4' ' ' VAL . 1.6 m -151.19 166.12 31.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 10.0 110.393 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.727 ' CD2' ' CE2' ' A' ' 15' ' ' PHE . 16.4 m-85 -158.59 73.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 10.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -69.13 145.34 53.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 10.0 110.318 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 1.7 p30 -133.24 177.13 7.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 10.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -60.66 3.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.6 1.187 . . . . 10.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -46.01 -75.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 10.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -124.46 -122.02 2.63 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.443 1.09 . . . . 10.0 111.04 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t30 176.25 119.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.404 0.708 . . . . 10.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.6 ' CG2' ' CMB' ' A' ' 128' ' ' HEC . 14.6 p -90.67 169.11 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 10.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.496 ' N ' HG22 ' A' ' 13' ' ' VAL . 45.9 m -150.47 113.47 4.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 10.0 110.365 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.751 ' CD1' HBB3 ' A' ' 128' ' ' HEC . 10.0 m-30 -87.02 154.99 20.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 10.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.535 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 36.3 m-20 -127.34 126.94 43.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 10.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.446 ' CE1' ' NB ' ' A' ' 98' ' ' HEC . 0.2 OUTLIER -108.61 -55.25 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 10.0 109.615 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -94.03 -12.0 29.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 10.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.29 -27.66 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 10.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.552 ' CE1' ' CHA' ' A' ' 128' ' ' HEC . 0.1 OUTLIER -95.84 -43.26 7.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 10.0 109.616 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.12 -18.75 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 10.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.3 mm-40 -56.07 -45.9 79.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 10.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.13 -43.5 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 10.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.001 HD11 ' CHD' ' A' ' 128' ' ' HEC . 0.4 OUTLIER -65.81 -98.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 10.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.946 ' O ' HMC3 ' A' ' 98' ' ' HEC . . . 140.99 -169.27 25.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 10.0 111.006 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.395 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 1.4 m -89.94 -56.23 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -56.37 -18.3 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 10.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.53 -60.75 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 10.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.375 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 1.8 m -98.29 -36.68 9.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 10.0 108.331 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' CYS . 45.9 m-70 -93.23 -177.49 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 10.0 109.571 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -179.18 110.89 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 10.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.35 87.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 10.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.0 m 71.75 104.97 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 10.0 110.345 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.548 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.1 Cg_endo -75.11 160.78 39.4 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 10.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -162.81 -173.14 3.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 10.0 109.337 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.94 115.58 15.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 10.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.788 HD12 ' C1D' ' A' ' 98' ' ' HEC . 42.8 mt -79.8 149.82 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 10.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.597 ' O ' ' HB ' ' A' ' 39' ' ' ILE . . . -60.13 -122.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 10.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.597 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 1.0 OUTLIER 90.54 149.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 10.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.7 OUTLIER 154.83 173.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 10.0 109.351 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.408 ' HB2' ' CAA' ' A' ' 158' ' ' HEC . 2.8 tttt -65.54 63.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 10.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' ASP . 2.0 tttt 174.05 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 10.0 109.268 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.641 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 5.9 t -107.0 -37.29 6.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 10.0 109.997 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.664 ' HB1' ' C2D' ' A' ' 158' ' ' HEC . . . -56.91 -18.01 11.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 10.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.513 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 18.4 m170 -99.25 -0.5 41.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 10.0 109.559 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.53 -154.87 0.52 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 10.0 109.258 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.14 -24.97 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 10.0 109.359 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.29 -71.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.162 . . . . 10.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.46 ' HB3' ' CBC' ' A' ' 158' ' ' HEC . 1.0 OUTLIER -107.55 -52.14 2.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 10.0 108.278 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 51' ' ' THR . 3.1 mtpp -61.27 96.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.628 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.8 OUTLIER 167.9 -72.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 10.0 110.385 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.628 ' N ' HG22 ' A' ' 51' ' ' THR . 1.7 t -63.69 -43.72 95.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 10.0 108.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.526 ' CD2' ' NC ' ' A' ' 128' ' ' HEC . 1.2 m-70 -59.05 -33.67 71.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 10.0 109.581 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -73.82 67.68 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 10.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.7 -73.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 10.0 110.003 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -77.47 -84.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.404 1.065 . . . . 10.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -99.67 -67.13 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 10.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 57.69 158.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 10.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.57 ' HG2' HMC1 ' A' ' 158' ' ' HEC . 18.1 Cg_endo -75.04 -166.86 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.528 1.804 . . . . 10.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 178.29 -44.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 10.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.585 ' O ' ' N ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER -124.39 68.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 10.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.695 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 85.4 m 52.22 -85.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 10.0 108.306 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -23.76 -46.49 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.509 1.131 . . . . 10.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -35.6 -47.53 0.89 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.042 -0.823 . . . . 10.0 111.042 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.649 ' SG ' ' HAC' ' A' ' 158' ' ' HEC . 0.0 OUTLIER -103.71 -69.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.304 -0.999 . . . . 10.0 108.304 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 63' ' ' GLY . 18.6 m-70 -61.03 153.85 24.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 10.0 109.602 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.2 mt -84.07 91.74 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.436 1.085 . . . . 10.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 tptp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 10.0 109.286 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.395 ' CAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.001 ' CHD' HD11 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.695 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.68 ' C ' HG23 ' A' ' 3' ' ' VAL . 1.0 OUTLIER 59.64 45.46 13.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 10.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.68 HG23 ' C ' ' A' ' 2' ' ' ASP . 3.0 t 83.89 111.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 10.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.2 t -104.72 149.58 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 10.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 m -117.62 119.42 34.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 10.0 110.374 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.437 ' HE2' ' H2D' ' A' ' 158' ' ' HEC . 2.3 m-85 -103.43 156.44 17.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 10.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -135.5 143.45 45.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 10.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -153.25 -178.13 6.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 109.244 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -93.44 32.34 1.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 10.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -165.46 60.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 10.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.06 -148.52 21.55 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 10.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -166.23 151.12 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 10.0 109.381 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.622 HG21 HMD3 ' A' ' 158' ' ' HEC . 6.6 p -124.82 96.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 10.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 14' ' ' THR . 1.3 m -77.25 85.33 3.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 110.416 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.49 ' CZ ' HMD1 ' A' ' 158' ' ' HEC . 21.3 m-85 -47.44 162.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 10.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.55 ' CB ' ' ND1' ' A' ' 20' ' ' HIS . 1.1 m-20 -124.91 130.41 52.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 10.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.556 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -118.05 -54.71 2.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 10.0 109.586 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -86.64 -40.16 15.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 10.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.91 -31.08 72.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 10.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.725 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -87.9 -53.07 4.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 10.0 109.619 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -38.34 -30.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 10.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' HIS . 1.7 mt-10 -54.29 -50.74 66.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 10.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' HIS . 6.6 mmtm -95.18 -56.58 2.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 10.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.077 HD22 HMC1 ' A' ' 98' ' ' HEC . 7.5 mp -45.38 -91.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 121.38 34.14 0.9 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.562 1.164 . . . . 10.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER 65.04 -75.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.279 -1.008 . . . . 10.0 108.279 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 25' ' ' GLY . 30.4 m-20 -38.12 -40.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 10.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.778 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -39.57 -30.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 10.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.299 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.2 OUTLIER -118.81 -65.42 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 10.0 108.331 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -68.37 -174.37 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 10.0 109.584 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.32 107.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 10.0 110.262 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.16 101.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 10.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.0 m 57.41 103.47 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.375 0.691 . . . . 10.0 110.466 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.655 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 -160.03 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 10.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 166.16 -46.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 10.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.29 178.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 10.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.5 HD12 ' C2D' ' A' ' 98' ' ' HEC . 3.7 mt -138.59 155.14 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 10.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.5 80.87 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 10.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.521 HG23 ' HB2' ' A' ' 44' ' ' ALA . 13.8 mm -101.79 127.47 55.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.164 . . . . 10.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER 175.52 162.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 10.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 10.8 mttm -39.48 141.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 10.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 3.6 tttp 87.85 -61.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 10.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.972 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -70.95 -63.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 10.0 109.93 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.521 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -55.27 -15.16 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 10.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.432 ' CD2' ' NC ' ' A' ' 158' ' ' HEC . 13.3 m170 -92.78 -41.39 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 10.0 109.601 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 43' ' ' SER . 19.3 mttt -151.45 161.42 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 10.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 t70 60.95 15.19 5.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 10.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.972 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -150.51 -45.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.63 1.206 . . . . 10.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.719 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 6.0 m -111.1 -68.29 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 10.0 108.223 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 84.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 10.0 109.252 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' CYS . 14.7 t -171.58 -41.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 10.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.7 t -102.37 -13.22 17.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 10.0 108.364 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -96.06 17.43 15.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.604 1.19 . . . . 10.0 109.597 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -99.26 55.27 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 10.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.0 t -175.69 -55.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.498 1.124 . . . . 10.0 109.925 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -58.14 -169.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 10.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -129.74 127.41 40.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 10.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.43 -111.75 0.44 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 10.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 61' ' ' LYS . 18.3 Cg_endo -75.02 -90.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.505 1.792 . . . . 10.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 50.9 m 68.9 -58.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 10.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -93.2 164.59 13.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 10.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 61' ' ' LYS . 1.8 t -49.53 175.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 10.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.1 35.61 4.83 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.495 1.122 . . . . 10.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.98 -73.77 0.64 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.0 -0.84 . . . . 10.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.425 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 3.8 m -62.05 -43.33 99.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.237 -1.023 . . . . 10.0 108.237 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.559 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 52.2 m-70 -69.81 106.11 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 109.62 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.0 mm -79.81 78.35 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 10.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 10.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.299 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.719 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.425 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.475 ' HB3' ' CG ' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.37 -48.07 0.58 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 10.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 15' ' ' PHE . 13.6 p -174.28 114.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.3 t -82.3 132.5 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 10.0 109.231 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.429 ' HA ' HG23 ' A' ' 14' ' ' THR . 18.6 m -104.88 139.77 39.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 10.0 110.429 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -130.37 99.47 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 110.954 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.77 135.97 45.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 10.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -150.98 173.95 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 10.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -86.8 -68.84 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 10.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -46.84 -58.43 3.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.509 1.131 . . . . 10.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.22 149.29 13.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 10.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -93.16 151.81 19.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 10.0 109.345 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.941 HG21 HMD3 ' A' ' 158' ' ' HEC . 1.7 p -129.3 78.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 10.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.501 HG22 HG22 ' A' ' 3' ' ' VAL . 30.9 m -68.98 114.88 7.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 10.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.775 ' O ' HG23 ' A' ' 3' ' ' VAL . 91.1 m-85 -66.13 -170.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 10.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.853 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -150.13 111.46 4.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 10.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.608 ' CE1' ' NB ' ' A' ' 98' ' ' HEC . 0.1 OUTLIER -98.19 -56.9 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 10.0 109.574 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.76 -17.75 26.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.853 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -78.5 -23.24 46.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 10.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.515 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -101.79 -51.84 3.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 10.0 109.559 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -47.52 -41.25 20.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 10.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' ALA . 8.3 pt-20 -37.55 -31.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 10.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . 8.9 mmtp -127.31 -47.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 10.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.767 HD11 ' CHD' ' A' ' 128' ' ' HEC . 0.3 OUTLIER -59.7 -100.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 10.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.536 ' O ' HMC3 ' A' ' 98' ' ' HEC . . . 142.54 173.19 14.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.474 1.108 . . . . 10.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.386 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -81.26 -28.58 34.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -84.95 -3.33 58.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 10.0 109.329 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.91 -15.59 26.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 10.0 109.326 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.334 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 64.1 m -127.95 -48.24 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 10.0 108.279 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' CYS . 57.0 m-70 -107.48 -164.28 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 10.0 109.588 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 2.3 mt-10 166.66 142.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 10.0 110.342 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.17 -60.84 1.43 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 10.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -149.15 111.32 3.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 10.0 110.43 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.581 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.4 Cg_endo -75.01 114.7 4.09 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 10.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.64 160.82 37.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 10.0 109.342 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -46.48 103.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 10.0 109.346 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.576 HG23 ' N ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -61.0 171.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 10.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.576 ' N ' HG23 ' A' ' 37' ' ' ILE . . . -60.21 -117.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 10.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.677 HG23 ' HB2' ' A' ' 44' ' ' ALA . 4.8 mm 65.8 104.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 10.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' CG ' ' C ' ' A' ' 39' ' ' ILE . 0.0 OUTLIER 167.27 114.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 10.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' SER . 0.7 OUTLIER 66.86 -136.91 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 10.0 109.354 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -68.31 69.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 10.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.681 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -151.59 -61.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 10.0 110.001 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.677 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -59.7 -15.17 17.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 10.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.416 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 21.1 m170 -96.84 -1.02 46.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 10.0 109.604 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.2 -160.05 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 10.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -52.02 -21.83 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 10.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.01 -54.57 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 10.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 m -105.06 -80.72 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 10.0 108.284 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 51' ' ' THR . 1.2 ptmt -41.7 105.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 10.0 109.354 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.422 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER 171.74 -53.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 10.0 110.46 -179.894 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 1.468 ' SG ' ' CAC' ' A' ' 128' ' ' HEC . 48.0 t -104.55 40.94 1.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 10.0 108.325 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -133.13 -45.73 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 10.0 109.549 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -43.16 -33.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 10.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.9 t -48.96 -68.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 10.0 110.063 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -98.6 -67.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 10.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -162.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 10.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.44 65.7 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 10.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.37 3.93 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.503 1.791 . . . . 10.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -67.73 -68.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 10.0 110.463 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -72.45 151.42 42.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 10.0 109.243 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.713 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 57.2 m -48.75 153.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 108.291 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.56 -38.45 3.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.466 1.104 . . . . 10.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.18 -80.93 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.5 ' SG ' ' HAC' ' A' ' 158' ' ' HEC . 14.6 p -92.66 -49.86 5.88 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.298 -1.001 . . . . 10.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.407 ' CE1' ' C1B' ' A' ' 158' ' ' HEC . 0.1 OUTLIER -47.66 150.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 10.0 109.578 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.5 mm -121.37 89.19 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 10.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 10.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.386 ' CAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.468 ' CAC' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.713 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.727 ' O ' HG23 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.521 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 0.2 OUTLIER 38.74 34.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.407 1.067 . . . . 10.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 3' ' ' VAL . 1.0 OUTLIER 73.32 99.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 109.359 -179.917 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 1' ' ' ALA . 3.9 t -124.91 156.31 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 10.0 109.361 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -132.3 97.16 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 10.0 110.431 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.651 ' HD2' HG13 ' A' ' 13' ' ' VAL . 20.0 m-85 -87.15 102.03 14.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 10.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.67 51.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 10.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -47.48 172.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 10.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -41.35 12.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -93.81 52.18 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 10.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.01 -141.69 17.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.551 1.157 . . . . 10.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 175.77 132.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 0.81 . . . . 10.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.651 HG13 ' HD2' ' A' ' 6' ' ' TYR . 7.4 p -118.68 109.6 27.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 10.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -105.79 123.17 47.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 10.0 110.427 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.489 ' HZ ' HMD1 ' A' ' 158' ' ' HEC . 15.8 m-30 -86.92 -174.14 4.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 10.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.602 ' OD1' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -154.51 40.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.572 ' CE1' ' CHC' ' A' ' 98' ' ' HEC . 6.6 t-80 -34.5 -51.71 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 10.0 109.54 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -78.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 10.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.97 -46.29 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 10.0 109.354 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.847 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.5 -58.91 6.53 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 10.0 109.626 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -35.7 -34.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 20' ' ' HIS . 2.1 mt-10 -62.49 -57.18 12.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 10.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 20' ' ' HIS . 10.1 mmtt -78.82 -50.33 11.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 10.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.055 HD22 HMC1 ' A' ' 98' ' ' HEC . 8.4 mp -57.78 -111.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 10.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 139.57 40.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.141 . . . . 10.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.519 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 61.98 -78.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.274 -1.009 . . . . 10.0 108.274 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER -31.23 -40.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 10.0 109.241 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.695 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -40.15 -58.08 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 10.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.476 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -94.65 -47.38 6.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 10.0 108.26 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.483 ' CE1' HD11 ' A' ' 37' ' ' ILE . 72.9 m-70 -78.44 -154.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 10.0 109.554 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -178.75 98.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 10.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.41 94.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.526 1.141 . . . . 10.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.0 m 68.43 104.65 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 10.0 110.358 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.822 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.2 Cg_endo -75.04 -163.64 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.802 . . . . 10.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 177.07 -52.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 10.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.72 -175.96 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.787 HD12 ' C1D' ' A' ' 98' ' ' HEC . 34.3 mt -153.33 145.88 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 10.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.15 95.36 10.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 10.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.536 HG13 HMD1 ' A' ' 98' ' ' HEC . 15.1 mm -113.92 104.85 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 10.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.6 OUTLIER -165.77 169.03 15.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.9 65.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 10.0 109.332 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' ASP . 4.0 tttm -175.51 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 10.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.555 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -112.2 -39.25 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 10.0 110.009 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.69 -17.2 13.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 10.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -95.11 -1.43 52.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 10.0 109.615 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.457 ' C ' ' N ' ' A' ' 48' ' ' ALA . 2.5 mttt -107.0 -163.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.7 OUTLIER -42.08 -27.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -37.2 -61.65 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 10.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -101.84 -76.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.62 1.2 . . . . 10.0 108.254 -179.953 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -47.62 95.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 10.0 109.262 -179.928 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -172.6 -55.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 10.0 110.423 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.08 -55.8 4.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 10.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -50.96 -25.52 4.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 109.59 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HG2' HG21 ' A' ' 60' ' ' THR . 5.4 mtpm? -53.14 -68.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.52 56.63 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 10.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 177.67 -176.97 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 10.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -61.82 100.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 10.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.01 113.95 0.36 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.575 1.172 . . . . 10.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.419 ' O ' ' HA3' ' A' ' 64' ' ' GLY . 18.4 Cg_endo -75.01 78.32 2.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.435 1.755 . . . . 10.0 111.069 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.417 HG21 ' HG2' ' A' ' 54' ' ' LYS . 3.7 t -73.08 53.94 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 10.0 110.353 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -115.07 -32.52 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 10.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.697 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 30.5 t 177.0 -54.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 10.0 108.272 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.67 39.43 2.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.559 1.162 . . . . 10.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 65' ' ' CYS . . . -91.56 46.96 2.78 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.987 -0.845 . . . . 10.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 64' ' ' GLY . 1.6 p 160.24 -50.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.325 -0.991 . . . . 10.0 108.325 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -60.65 115.23 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 109.585 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mt -85.11 101.71 9.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 10.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.1 tttp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 10.0 109.29 -179.982 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.476 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 0.842 HBC3 HMC1 ' A' ' 128' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.697 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.556 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 2.3 m-20 152.34 61.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 10.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 4' ' ' VAL . 2.7 t 60.19 168.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 10.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.671 HG12 ' O ' ' A' ' 4' ' ' VAL . 29.6 t -158.64 71.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 10.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.466 HG23 ' OG1' ' A' ' 14' ' ' THR . 19.5 m -40.2 147.84 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 10.0 110.409 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.44 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 0.2 OUTLIER -143.48 84.95 1.82 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.545 1.153 . . . . 10.0 110.912 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -54.07 139.76 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.393 1.058 . . . . 10.0 110.333 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.522 ' ND2' HG12 ' A' ' 13' ' ' VAL . 7.8 m-80 -135.03 -177.49 4.66 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.14 . . . . 10.0 109.368 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -100.61 -27.13 13.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 10.0 109.327 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.6 68.41 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 10.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.07 122.97 0.45 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.582 1.176 . . . . 10.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -70.32 153.27 43.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 0.773 . . . . 10.0 109.329 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 13' ' ' VAL . 2.5 p -122.09 47.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 10.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.466 ' OG1' HG23 ' A' ' 5' ' ' THR . 1.2 m -43.44 94.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 10.0 110.358 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.847 ' CE1' HBB3 ' A' ' 128' ' ' HEC . 52.0 m-85 -56.36 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 10.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.559 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 16.5 m-20 -145.81 127.73 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 10.0 109.332 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.546 ' CD2' ' NC ' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -108.17 -59.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 10.0 109.551 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 30.5 tttt -68.51 -52.03 36.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 10.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.31 -40.7 71.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 10.0 109.254 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 15.2 m170 -72.62 -65.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 10.0 109.536 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -39.18 -44.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 10.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.6 mm-40 -38.67 -57.0 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.132 . . . . 10.0 110.251 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -89.5 -42.17 11.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 10.0 109.224 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.006 HD22 HMC1 ' A' ' 98' ' ' HEC . 7.3 mp -65.78 -109.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 109.236 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 137.24 39.35 0.13 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.482 1.114 . . . . 10.0 111.017 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 67.84 -68.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.305 -0.998 . . . . 10.0 108.305 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' GLY . 7.5 m-20 -42.69 -46.56 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 10.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.838 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -45.1 -26.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 10.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.364 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 75.0 m -115.85 -66.18 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 10.0 108.34 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.58 ' CE1' HD11 ' A' ' 37' ' ' ILE . 20.8 m-70 -80.18 -165.59 0.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 10.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.66 88.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.25 80.66 1.22 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 10.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 m 72.68 104.83 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.426 0.721 . . . . 10.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.918 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.0 Cg_endo -75.04 -178.65 4.32 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.798 . . . . 10.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 172.88 161.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 10.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -56.3 108.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 10.0 109.254 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.58 HD11 ' CE1' ' A' ' 30' ' ' HIS . 13.0 mt -75.17 148.09 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 10.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.98 77.75 5.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.13 . . . . 10.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.79 HD12 ' HB2' ' A' ' 44' ' ' ALA . 24.2 mm -100.18 129.05 51.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 10.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.54 -52.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 10.0 109.319 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.5 ' HD2' ' C2A' ' A' ' 158' ' ' HEC . 0.0 OUTLIER 178.23 92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 10.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 8.0 mttt 169.45 -39.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 10.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' SER . . . . . 1.051 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -116.25 -48.62 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.96 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.978 ' HB1' ' CMD' ' A' ' 158' ' ' HEC . . . -53.91 -15.74 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 10.0 109.361 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.544 ' CD2' ' NC ' ' A' ' 158' ' ' HEC . 4.7 m170 -92.7 -43.11 9.24 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 10.0 109.651 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.502 ' O ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -149.73 168.94 22.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 10.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 45.22 35.88 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 10.0 109.325 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.051 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -168.59 -48.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 10.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.674 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 60.3 m -109.23 -74.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.14 . . . . 10.0 108.267 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -38.25 -57.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.177 . . . . 10.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 m -40.89 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 10.0 110.444 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 21.3 t -84.82 105.78 15.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 10.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.466 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.3 OUTLIER 163.51 -28.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.486 1.116 . . . . 10.0 109.61 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -68.74 62.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 10.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -174.81 -42.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.963 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.03 -57.91 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 10.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.64 -155.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.611 1.194 . . . . 10.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -174.22 79.45 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.575 1.172 . . . . 10.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.547 ' HA ' ' CA ' ' A' ' 64' ' ' GLY . 18.5 Cg_endo -74.87 144.15 30.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 10.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.509 ' O ' ' O ' ' A' ' 61' ' ' LYS . 12.7 m -150.57 52.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 10.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.584 ' HB2' HBB1 ' A' ' 158' ' ' HEC . 0.1 OUTLIER 44.15 99.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 10.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.726 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 6.7 m 82.09 -67.11 0.1 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.556 1.16 . . . . 10.0 108.33 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.48 -11.82 16.29 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.128 . . . . 10.0 110.987 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.547 ' CA ' ' HA ' ' A' ' 59' ' ' PRO . . . -72.58 -65.85 2.22 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.988 -0.845 . . . . 10.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.392 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 2.8 p -141.37 62.54 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 62' ' ' CYS . 3.8 m-70 -163.73 96.72 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 10.0 109.568 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.689 HG23 ' N ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -51.34 179.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 10.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.689 ' N ' HG23 ' A' ' 67' ' ' ILE . 9.5 pttp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 10.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.364 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.674 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.726 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.631 ' O ' HG12 ' A' ' 3' ' ' VAL . 1.2 t0 68.46 28.9 5.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 10.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 89.16 147.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 10.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 4' ' ' VAL . 77.8 t -153.91 55.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 10.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.656 ' OG1' HG23 ' A' ' 14' ' ' THR . 3.0 m -42.91 159.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 10.0 110.34 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.625 ' HB2' HG13 ' A' ' 13' ' ' VAL . 13.6 m-85 -136.95 109.34 7.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 10.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -62.55 139.86 58.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 10.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -149.67 -175.67 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 10.0 109.294 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.56 -2.86 14.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 10.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 72.66 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 10.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.4 98.53 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 10.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.24 121.69 10.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 10.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.625 HG13 ' HB2' ' A' ' 6' ' ' TYR . 13.7 p -82.92 88.88 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 10.0 109.352 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.656 HG23 ' OG1' ' A' ' 5' ' ' THR . 2.3 m -75.72 84.08 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 10.0 110.347 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.556 ' CE2' HBB3 ' A' ' 128' ' ' HEC . 5.2 m-85 -50.75 -178.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 10.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.485 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 3.7 m-20 -157.29 129.41 7.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 10.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.15 -58.26 2.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 10.0 109.569 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -43.68 71.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 10.0 109.272 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.27 -29.68 68.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 10.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.485 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 2.2 m170 -79.5 -55.87 4.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 10.0 109.619 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.07 -30.94 4.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.68 -58.93 3.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -90.52 -31.63 16.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 10.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.804 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -68.04 -105.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 10.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 129.5 34.65 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 10.0 111.029 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.547 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 66.57 -73.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.328 -0.989 . . . . 10.0 108.328 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER -43.17 -26.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 10.0 109.272 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.804 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -61.83 -39.92 93.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 10.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.354 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 91.9 m -103.99 -52.76 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 10.0 108.339 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' CYS . 5.0 m-70 -95.05 -150.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 10.0 109.599 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -158.93 -144.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 10.0 110.279 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.452 ' N ' ' CG ' ' A' ' 31' ' ' GLU . . . -57.57 94.78 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.09 . . . . 10.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.0 m 69.95 105.33 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 10.0 110.375 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.688 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.96 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.499 1.789 . . . . 10.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 178.49 -57.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.378 1.049 . . . . 10.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.39 163.66 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.809 HD12 ' C1D' ' A' ' 98' ' ' HEC . 6.9 mt -122.89 156.83 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 10.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.24 96.05 6.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 10.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.833 HD12 ' HB2' ' A' ' 44' ' ' ALA . 6.0 mm -126.77 146.12 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 10.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 13.1 t0 -164.74 -63.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 10.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER 178.5 38.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 10.0 109.306 -179.928 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.2 -68.35 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 10.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.827 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 1.2 t -51.64 -52.53 47.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 10.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 1.011 ' HB1' HMD2 ' A' ' 158' ' ' HEC . . . -55.48 -18.99 8.24 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 10.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -100.47 5.63 44.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 10.0 109.592 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 47' ' ' ASP . 5.5 mttt -119.4 -165.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 10.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 46' ' ' LYS . 4.7 m-20 -37.32 -34.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 10.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.827 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -38.11 -44.85 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.596 ' O ' ' C ' ' A' ' 50' ' ' LYS . 75.3 m -126.39 -106.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 10.0 108.32 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.596 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.2 OUTLIER 22.65 -95.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 10.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.523 ' C ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -28.96 -56.48 0.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 10.0 110.398 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 1.403 ' SG ' ' CAC' ' A' ' 128' ' ' HEC . 8.0 t -85.92 77.62 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 10.0 108.339 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.483 ' HB3' ' CG ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER 172.28 -36.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 10.0 109.551 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -71.98 66.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 10.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.93 -58.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 10.0 110.046 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.99 -75.06 0.64 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 10.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -43.0 -48.53 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 10.0 109.257 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 59' ' ' PRO . . . 69.85 61.62 4.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 10.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.489 ' O ' ' HB ' ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.06 -155.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 10.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 60' ' ' THR . 4.3 m 67.69 30.31 6.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 10.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.03 22.24 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 10.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.687 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 1.2 m 51.34 31.55 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 10.0 108.288 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -150.31 19.41 1.05 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 10.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.53 -68.61 0.95 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -68.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.24 -1.022 . . . . 10.0 108.24 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.437 ' CD2' ' C4B' ' A' ' 158' ' ' HEC . 75.7 m-70 -45.71 148.14 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 10.0 109.571 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 78.4 mt -110.21 101.25 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 10.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.138 . . . . 10.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.354 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.403 ' CAC' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.687 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.465 ' CB ' ' HG2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -54.13 -15.91 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 10.0 109.348 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 15' ' ' PHE . 4.1 p -178.19 77.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.391 1.057 . . . . 10.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.7 t -54.43 134.16 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 10.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.6 m -104.34 154.53 19.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 10.0 110.4 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 1.8 m-85 -148.55 81.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 10.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -73.4 125.45 27.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 10.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -128.89 171.33 12.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 10.0 109.352 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -62.46 -48.66 78.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 10.0 109.37 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 10.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.05 142.74 9.81 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.473 1.108 . . . . 10.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -62.34 126.25 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 10.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 13' ' ' VAL . 7.7 p -114.38 54.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 10.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.95 134.63 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 10.0 110.458 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.556 ' CD2' HBB3 ' A' ' 128' ' ' HEC . 6.9 m-85 -87.75 -173.69 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 10.0 110.958 -179.913 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.514 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 1.3 m-20 -146.84 121.39 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 10.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.432 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -113.48 -63.05 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 10.0 109.569 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HG2' ' CB ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -86.15 -20.37 28.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 10.0 109.355 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.96 -27.49 39.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 10.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.514 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -94.87 -49.54 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 10.0 109.58 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.476 ' HB1' ' CBB' ' A' ' 98' ' ' HEC . . . -53.02 -51.68 60.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 10.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -39.04 -29.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 10.0 110.35 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.6 tttp -105.06 -64.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 10.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.629 HD22 HBC2 ' A' ' 128' ' ' HEC . 4.9 mp -57.65 -92.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' CYS . . . 123.59 66.67 0.21 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 10.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER 39.61 -146.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.244 -1.021 . . . . 10.0 108.244 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 26' ' ' CYS . 66.0 m-20 35.24 31.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 10.0 109.374 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.784 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -117.81 -61.35 1.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 10.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.378 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -111.96 5.16 18.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 10.0 108.316 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -117.21 177.27 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 10.0 109.634 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -178.85 121.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.98 92.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.541 1.151 . . . . 10.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.9 m 71.29 105.19 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.444 0.732 . . . . 10.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.542 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.1 Cg_endo -74.98 126.68 10.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 10.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.45 -177.48 4.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 10.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.515 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -71.95 108.18 5.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 10.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.863 HD12 ' C2D' ' A' ' 98' ' ' HEC . 38.8 mt -64.82 167.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 10.0 109.239 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.538 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -94.28 90.36 6.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 10.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.539 HG23 ' HB2' ' A' ' 44' ' ' ALA . 6.6 mm -119.7 140.96 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 10.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 10.7 t70 -165.22 -67.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 10.0 109.337 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HB2' ' CAA' ' A' ' 158' ' ' HEC . 0.6 OUTLIER 177.52 82.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 10.0 109.327 179.923 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm 173.14 -58.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 109.284 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -81.57 -36.73 28.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 10.0 109.972 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.928 ' HA ' ' HB3' ' A' ' 48' ' ' ALA . . . -65.15 -6.09 8.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 10.0 109.24 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -98.2 -4.06 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 10.0 109.569 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -169.4 -65.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.401 1.063 . . . . 10.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 27.7 m-20 -70.98 55.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 10.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.928 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . 173.11 -76.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 10.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.44 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 60.0 m -88.64 -129.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 10.0 108.313 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.559 ' O ' ' C ' ' A' ' 51' ' ' THR . 5.0 mmtp 28.78 -93.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 10.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.568 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -25.49 -50.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 10.0 110.363 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.476 ' N ' ' CG2' ' A' ' 51' ' ' THR . 9.0 t -96.23 85.01 3.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 10.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 175.23 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.614 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -66.66 72.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 10.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -157.03 -51.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 10.0 109.972 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -105.25 -60.52 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 10.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.49 -172.13 3.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 10.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -145.69 64.65 0.44 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 10.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.17 4.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 10.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 m -85.17 -49.78 7.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.087 . . . . 10.0 110.457 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -76.91 -156.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 10.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -107.4 43.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 10.0 108.278 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -126.65 -42.24 0.29 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.528 1.143 . . . . 10.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.13 -83.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.994 -0.842 . . . . 10.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.884 ' SG ' HMB3 ' A' ' 128' ' ' HEC . 1.8 m -72.84 -64.95 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.325 -0.991 . . . . 10.0 108.325 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.5 ' CE1' ' C1B' ' A' ' 158' ' ' HEC . 10.9 m-70 -64.88 103.56 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 10.0 109.605 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 67' ' ' ILE . 19.7 mm -88.46 79.35 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 10.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 10.0 109.275 -179.995 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.378 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.44 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 0.833 HBC3 HMC1 ' A' ' 158' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 1.017 ' O ' HG23 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.453 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 1.0 OUTLIER 43.95 34.14 0.88 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.15 . . . . 10.0 109.339 -179.928 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 3' ' ' VAL . 17.8 t 66.4 81.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.017 HG23 ' O ' ' A' ' 1' ' ' ALA . 10.0 t -105.8 164.54 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 10.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.603 HG23 ' OG1' ' A' ' 14' ' ' THR . 89.7 m -131.2 91.48 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 10.0 110.362 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.546 ' CD2' ' CZ ' ' A' ' 15' ' ' PHE . 4.2 m-30 -81.26 124.9 29.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 10.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -113.82 110.88 20.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 10.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -113.75 159.36 19.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 10.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -40.31 -50.48 2.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 10.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -79.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 10.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.38 -100.47 0.22 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 10.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -172.69 137.3 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 10.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.628 HG21 ' CHD' ' A' ' 158' ' ' HEC . 10.8 p -120.92 62.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.749 HG23 ' O ' ' A' ' 4' ' ' VAL . 4.2 m -55.4 130.58 43.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 10.0 110.426 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.546 ' CZ ' ' CD2' ' A' ' 6' ' ' TYR . 8.8 m-85 -88.39 -173.57 4.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 10.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.977 ' O ' HBC3 ' A' ' 98' ' ' HEC . 1.2 m-20 -150.2 117.66 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 10.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.668 ' CE1' ' C4B' ' A' ' 98' ' ' HEC . 9.3 t-80 -124.08 -65.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 109.6 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -21.77 64.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 10.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.79 -32.92 13.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 10.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.606 ' HB3' HMC1 ' A' ' 98' ' ' HEC . 0.2 OUTLIER -77.24 -35.34 55.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 10.0 109.583 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -15.1 11.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 10.0 109.329 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -79.55 -49.65 11.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 10.0 110.372 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -87.76 -53.74 4.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 10.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.866 HD22 HMC1 ' A' ' 98' ' ' HEC . 6.6 mp -58.73 -114.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 10.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 145.87 38.01 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 10.0 110.961 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.547 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 65.48 -69.7 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.343 -0.984 . . . . 10.0 108.343 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 25' ' ' GLY . 2.4 m-20 -39.17 -28.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 10.0 109.251 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.669 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -62.61 -48.11 80.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 10.0 109.352 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.47 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 20.4 m -93.42 -50.72 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 10.0 108.254 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 26' ' ' CYS . 5.1 m-70 -95.26 179.34 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 10.0 109.644 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.14 94.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 10.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.72 82.83 1.02 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 10.0 111.042 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.0 m 71.43 103.38 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 10.0 110.451 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.768 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.1 Cg_endo -75.02 159.89 40.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.43 1.753 . . . . 10.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' LYS . . . -173.38 157.75 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.45 ' N ' ' HE3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.2 143.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 10.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.5 mt -119.01 146.28 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 10.0 109.332 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.43 91.03 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 10.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.42 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 3.7 mm -97.75 137.79 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 10.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER 162.01 165.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 10.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' ASP . 19.2 ttpt -42.37 163.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 10.0 109.322 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER 79.87 -70.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 10.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 46' ' ' LYS . 26.3 m -67.78 -67.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 10.0 109.934 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.885 ' HA ' ' HB3' ' A' ' 48' ' ' ALA . . . -55.15 -15.99 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 10.0 109.251 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.422 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 1.6 m-70 -106.61 13.79 27.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 10.0 109.598 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 42' ' ' LYS . 26.2 tttm -131.41 -92.98 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 10.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 1.3 m-20 -122.89 65.97 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 10.0 109.206 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.885 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -146.19 -45.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 10.0 109.216 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.718 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 0.1 OUTLIER -113.35 -69.34 0.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 10.0 108.306 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' CYS . 49.1 mttt -39.97 -57.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 10.0 109.252 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.499 HG23 ' N ' ' A' ' 52' ' ' CYS . 2.2 t -38.03 -56.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 10.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 51.4 t -95.33 104.03 15.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.617 1.198 . . . . 10.0 108.295 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER 161.49 -47.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 10.0 109.572 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -46.5 -30.83 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 10.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.49 64.9 4.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 10.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 167.39 -87.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 10.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -110.0 -42.86 4.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 10.0 109.339 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.448 ' N ' ' HD3' ' A' ' 59' ' ' PRO . . . 61.72 61.82 6.38 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 10.0 111.014 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 58' ' ' GLY . 18.2 Cg_endo -75.0 54.91 3.78 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.804 . . . . 10.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.466 ' HA ' ' CMC' ' A' ' 158' ' ' HEC . 1.9 t -101.27 53.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 10.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 63' ' ' GLY . 1.2 pttt -141.89 32.91 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 10.0 109.206 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.686 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 1.1 m 68.54 -70.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 10.0 108.32 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -51.96 -20.21 6.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.555 1.16 . . . . 10.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.417 ' HA3' ' CB ' ' A' ' 59' ' ' PRO . . . -65.96 -64.04 3.64 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.4 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 39.8 m -91.25 -54.94 3.72 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.307 -0.997 . . . . 10.0 108.307 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 62' ' ' CYS . 55.6 m-70 -86.97 100.51 12.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 10.0 109.613 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.4 mt -78.21 69.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 10.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 10.0 109.263 179.949 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.47 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.718 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.686 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.51 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 0.2 OUTLIER 50.9 34.56 10.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 10.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.51 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 13.2 t 69.51 97.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.502 1.126 . . . . 10.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.596 HG11 ' CE2' ' A' ' 6' ' ' TYR . 2.9 t -111.17 156.11 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 10.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.6 m -142.09 78.71 1.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 10.0 110.39 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.596 ' CE2' HG11 ' A' ' 4' ' ' VAL . 31.6 m-85 -71.49 153.22 42.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 10.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -128.31 106.05 8.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 10.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 10' ' ' LYS . 3.2 p30 -111.77 -175.01 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -93.21 32.01 1.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 10.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 66' ' ' HIS . 0.4 OUTLIER -164.02 60.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 10.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.29 173.06 49.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 10.0 111.04 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -131.21 126.55 35.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 10.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.632 HG21 HMD3 ' A' ' 158' ' ' HEC . 10.7 p -90.49 118.76 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 10.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.5 m -98.18 73.44 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 10.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.866 ' CE1' HBB3 ' A' ' 128' ' ' HEC . 0.6 OUTLIER -42.49 161.37 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 10.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.58 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.3 OUTLIER -146.06 103.39 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -114.49 -49.09 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 10.0 109.623 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.63 -25.0 58.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 10.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.93 -39.68 15.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 10.0 109.267 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.605 ' CE1' ' C4D' ' A' ' 128' ' ' HEC . 1.5 m-70 -71.26 -47.06 59.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 10.0 109.548 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.883 ' HB1' HBB2 ' A' ' 98' ' ' HEC . . . -47.32 -24.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 10.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 20' ' ' HIS . 1.9 mt-10 -71.24 -51.72 23.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 10.0 110.36 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -56.39 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.6 1.187 . . . . 10.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.042 HD23 ' CB ' ' A' ' 28' ' ' ALA . 6.4 mp -53.64 -101.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 10.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.12 40.85 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.437 1.086 . . . . 10.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.395 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 1.6 m 72.08 -57.68 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.303 -0.999 . . . . 10.0 108.303 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.26 62.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.221 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 1.083 ' HB1' HBC2 ' A' ' 128' ' ' HEC . . . -138.65 -55.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 10.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.366 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -112.47 -11.23 13.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 10.0 108.363 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.433 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 92.0 m-70 -104.23 -178.2 3.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 10.0 109.588 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 32' ' ' GLY . 14.5 tt0 -149.91 99.38 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 10.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . 46.9 99.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 10.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.4 m 67.66 104.88 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.568 0.805 . . . . 10.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.837 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.2 Cg_endo -75.0 178.39 7.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 10.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' O ' HAA1 ' A' ' 98' ' ' HEC . . . -166.94 -51.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 10.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -176.42 177.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 10.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.495 HD12 ' C1D' ' A' ' 98' ' ' HEC . 40.8 mt -151.92 150.54 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 10.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -101.34 106.07 17.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 10.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.685 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 19.9 mm -116.82 130.76 71.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 10.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 42' ' ' LYS . 2.8 p30 179.64 163.9 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 10.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -65.85 71.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 10.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 40' ' ' ASP . 6.5 tttt -178.37 -43.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 10.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.705 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -106.52 -36.49 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 10.0 109.989 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.415 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -58.63 -16.09 14.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 10.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -97.56 -3.37 39.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.087 . . . . 10.0 109.568 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -105.04 -160.99 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 10.0 109.244 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' ALA . 16.7 p-10 -46.8 -26.97 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 10.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -37.96 -54.9 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 10.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.492 ' HB3' HBC1 ' A' ' 158' ' ' HEC . 1.7 m -116.72 -73.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 10.0 108.271 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' CYS . 14.3 mmmt -38.46 99.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 10.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.705 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 176.96 -77.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.427 1.079 . . . . 10.0 110.378 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 1.543 ' SG ' ' HAC' ' A' ' 128' ' ' HEC . 0.2 OUTLIER -62.05 -52.83 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 10.0 108.259 -179.929 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.405 ' CE1' ' C1B' ' A' ' 128' ' ' HEC . 3.2 m170 -43.57 -44.42 6.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.638 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -69.88 79.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 10.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.39 -36.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.979 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -109.19 -75.77 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.608 1.193 . . . . 10.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -73.81 -177.04 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 10.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -135.14 69.07 0.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.573 1.17 . . . . 10.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.527 ' CB ' ' HA3' ' A' ' 64' ' ' GLY . 18.0 Cg_endo -75.08 -43.88 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.778 . . . . 10.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.585 ' O ' ' O ' ' A' ' 61' ' ' LYS . 9.9 t 38.26 36.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 10.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.981 ' HA ' HMC3 ' A' ' 158' ' ' HEC . 6.3 pttt 51.36 160.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 10.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.599 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 10.6 m 39.99 89.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 10.0 108.284 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.59 -18.6 8.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 10.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.527 ' HA3' ' CB ' ' A' ' 59' ' ' PRO . . . -91.06 -78.92 1.38 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.391 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 3.7 m -76.53 -59.64 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 10' ' ' LYS . 91.7 m-70 -74.15 90.65 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 10.0 109.529 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.4 mt -88.57 94.07 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 10.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 10.0 109.285 -179.99 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.395 ' CAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.543 ' HAC' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.599 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.975 ' O ' HG23 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.33 -0.619 . . . . 10.0 109.33 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.518 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 2.9 m-20 36.72 32.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 10.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.794 HG12 ' O ' ' A' ' 3' ' ' VAL . 3.5 t 68.48 72.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 10.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.975 HG23 ' O ' ' A' ' 1' ' ' ALA . 11.8 t -98.64 147.59 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 10.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.411 ' HA ' ' OG1' ' A' ' 14' ' ' THR . 55.1 m -121.52 111.43 17.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 10.0 110.376 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.673 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 8.8 m-30 -112.2 101.86 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 10.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -95.05 70.57 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 10.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 3.0 p30 -74.96 -176.07 2.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 10.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.72 -57.37 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 10.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -43.6 -81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 10.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -152.92 120.35 1.05 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.471 1.107 . . . . 10.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -53.29 138.9 31.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 10.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.7 p -137.01 72.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 10.0 109.354 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 4' ' ' VAL . 1.6 m -70.84 101.71 2.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 10.0 110.349 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.411 ' CE2' ' CE2' ' A' ' 6' ' ' TYR . 2.9 m-85 -60.39 160.03 9.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 10.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.619 ' O ' HBC3 ' A' ' 98' ' ' HEC . 0.0 OUTLIER -129.92 116.49 18.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 10.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.518 ' HB3' ' N ' ' A' ' 2' ' ' ASP . 7.9 t-80 -121.63 -64.89 1.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 10.0 109.583 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.76 -27.05 67.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 10.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.72 -35.64 24.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 10.0 109.276 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.616 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -76.02 -52.41 10.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 10.0 109.556 -179.944 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.67 ' HB1' HBB2 ' A' ' 98' ' ' HEC . . . -46.02 -25.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 20' ' ' HIS . 3.6 mm-40 -40.87 -51.46 3.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 10.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -124.11 -48.54 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 10.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.783 HD11 ' CHD' ' A' ' 128' ' ' HEC . 0.3 OUTLIER -40.22 -86.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 10.0 109.278 179.945 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.993 ' O ' HMC3 ' A' ' 98' ' ' HEC . . . 134.8 -171.69 22.27 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.528 1.142 . . . . 10.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.335 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -89.83 -60.2 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.009 . . . . 10.0 108.277 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 30' ' ' HIS . 1.5 m-20 -41.79 -26.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 10.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.941 ' HB1' HBC2 ' A' ' 128' ' ' HEC . . . -41.85 -47.09 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 10.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.332 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 1.7 m -107.8 -56.79 2.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 10.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.514 ' HE1' ' C4B' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -79.58 -172.78 3.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 10.0 109.583 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -178.85 91.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 10.0 110.269 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.97 71.59 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 10.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.1 m 64.24 106.34 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 10.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.508 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -74.98 -177.55 3.54 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 10.0 111.054 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' O ' HAA1 ' A' ' 98' ' ' HEC . . . -178.27 -39.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 10.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER 178.99 156.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 10.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.067 HD12 ' C1D' ' A' ' 98' ' ' HEC . 36.9 mt -122.54 -1.57 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 39.66 90.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 10.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.46 HG13 HMD1 ' A' ' 98' ' ' HEC . 10.8 mm -102.3 115.38 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 10.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 42' ' ' LYS . 4.0 t70 -163.43 165.91 23.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 10.0 109.238 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' HD3' ' CAA' ' A' ' 158' ' ' HEC . 0.0 OUTLIER -66.73 70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 10.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -178.63 -38.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 10.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -113.29 -44.43 3.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 10.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.519 ' HA ' ' HB3' ' A' ' 48' ' ' ALA . . . -54.01 -20.63 6.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 10.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -89.37 7.71 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 10.0 109.691 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -119.39 -159.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 109.237 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 48' ' ' ALA . 2.3 m-20 -40.08 -31.91 0.15 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.422 1.076 . . . . 10.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -36.24 -57.66 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 10.0 109.346 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.481 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 0.1 OUTLIER -110.0 -74.51 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 10.0 108.28 179.963 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.32 101.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.726 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.8 OUTLIER -176.32 -77.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 10.0 110.373 -179.928 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 1.403 ' SG ' ' HAC' ' A' ' 128' ' ' HEC . 0.5 OUTLIER -77.5 -44.48 28.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 10.0 108.319 179.944 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.437 ' CG ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -53.15 -52.55 58.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 10.0 109.586 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -80.23 65.34 5.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 10.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -153.06 -51.42 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 10.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -93.91 -78.07 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 10.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -154.74 116.16 4.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 10.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.57 -140.41 6.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.104 . . . . 10.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 18.4 Cg_endo -74.92 171.7 17.79 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.483 1.781 . . . . 10.0 110.951 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.544 HG23 ' HG2' ' A' ' 61' ' ' LYS . 2.3 t -178.2 -47.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 10.0 110.366 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.544 ' HG2' HG23 ' A' ' 60' ' ' THR . 0.0 OUTLIER -101.17 -109.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 10.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 64' ' ' GLY . 0.5 OUTLIER -112.53 -65.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 10.0 108.211 -179.916 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.74 69.16 0.29 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.512 1.133 . . . . 10.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -127.87 -84.6 0.46 Allowed Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.371 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 3.0 p -79.51 -43.76 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.44 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 4.3 m-70 -68.31 103.96 1.73 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 10.0 109.574 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.4 mt -79.37 77.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 10.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 10.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.335 ' CAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.481 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.371 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.533 ' HA ' ' CG ' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.763 ' C ' HG13 ' A' ' 3' ' ' VAL . 0.4 OUTLIER 39.93 29.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 10.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.763 HG13 ' C ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 72.78 145.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 10.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.32 150.79 34.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 10.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m -114.86 121.38 43.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 10.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -110.49 150.42 28.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 10.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -118.08 127.8 54.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 10.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.429 ' ND2' HG12 ' A' ' 13' ' ' VAL . 74.7 m-80 -130.64 179.85 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 10.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.3 23.74 7.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 -79.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 10.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 12' ' ' ASN . . . -161.47 37.18 0.4 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.531 1.145 . . . . 10.0 110.958 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 11' ' ' GLY . 43.0 m-20 47.36 -173.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 0.784 . . . . 10.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.886 HG21 ' C2D' ' A' ' 158' ' ' HEC . 1.5 p -169.17 62.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 10.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 m -52.89 136.19 34.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 10.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.628 ' HE2' HG21 ' A' ' 39' ' ' ILE . 85.1 m-85 -99.23 -173.01 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 10.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.811 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -151.07 115.46 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 10.0 109.268 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.533 ' CG ' ' HA ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -102.89 -46.48 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 10.0 109.632 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 6.3 tttt -88.29 -36.09 16.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 10.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.811 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -65.5 -35.01 79.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 10.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.589 ' CE1' ' OD1' ' A' ' 16' ' ' ASP . 10.3 m170 -79.3 -63.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 109.621 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -38.62 -31.28 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 10.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.6 mm-40 -52.23 -55.66 19.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.389 1.056 . . . . 10.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.1 -40.9 11.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 10.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.991 HD22 HMC1 ' A' ' 98' ' ' HEC . 6.0 mp -68.83 -119.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 10.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 154.86 41.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.148 . . . . 10.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER 65.03 -74.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.317 -0.994 . . . . 10.0 108.317 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 25' ' ' GLY . 1.9 t70 -32.14 -38.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 10.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.727 ' HB1' HBC2 ' A' ' 128' ' ' HEC . . . -41.54 -51.92 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 10.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.298 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.8 OUTLIER -106.07 -46.55 4.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 10.0 108.358 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.57 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 22.1 m-70 -94.93 -150.52 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 10.0 109.621 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -173.1 -150.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 10.0 110.298 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.01 -25.28 0.95 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 10.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.4 m -151.05 106.86 3.01 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 10.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.742 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 18.5 Cg_endo -74.9 -84.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.469 1.773 . . . . 10.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 34' ' ' PRO . . . 90.6 -69.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 10.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -177.25 175.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 10.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.77 HD12 ' C1D' ' A' ' 98' ' ' HEC . 62.9 mt -140.48 162.12 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.43 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -110.72 93.4 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 10.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.783 HG23 ' HB2' ' A' ' 44' ' ' ALA . 28.8 mm -106.62 95.89 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 10.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 172.44 152.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt 70.24 -144.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 10.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -84.29 50.45 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 10.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.494 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -130.35 -62.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.39 1.056 . . . . 10.0 110.085 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.783 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -57.54 -17.82 15.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.112 . . . . 10.0 109.414 179.9 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -96.43 -2.36 45.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 109.586 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 48' ' ' ALA . 2.6 tttt -102.61 -158.49 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 48' ' ' ALA . 19.2 m-20 -42.87 -29.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 10.0 109.364 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -38.87 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.624 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 84.5 m -92.43 -61.76 1.54 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 10.0 108.345 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 51' ' ' THR . 0.3 OUTLIER -58.35 102.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 10.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.458 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER 168.84 -65.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 10.0 110.385 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.442 ' N ' HG22 ' A' ' 51' ' ' THR . 18.7 t -100.16 72.64 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.12 . . . . 10.0 108.342 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 0.3 OUTLIER -159.02 -44.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 10.0 109.624 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.83 62.76 5.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 10.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -132.06 -54.75 0.98 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.559 1.162 . . . . 10.0 110.054 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -112.53 -60.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 10.0 109.232 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -149.74 97.37 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 10.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.13 121.8 1.78 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.413 1.071 . . . . 10.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.476 ' HG2' ' CA ' ' A' ' 64' ' ' GLY . 18.2 Cg_endo -75.03 82.06 2.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.782 . . . . 10.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.6 t -89.12 24.7 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 10.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -106.97 57.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 10.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.686 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 12.3 t 64.43 135.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 10.0 108.269 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . 75.13 -101.73 1.38 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 10.0 110.985 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.476 ' CA ' ' HG2' ' A' ' 59' ' ' PRO . . . 68.13 -54.95 0.42 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.036 -0.826 . . . . 10.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.376 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 0.8 OUTLIER -97.16 -21.26 17.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.245 -1.02 . . . . 10.0 108.245 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -77.5 87.65 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 10.0 109.641 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.445 ' O ' ' CG2' ' A' ' 67' ' ' ILE . 3.8 tt -48.71 114.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 10.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 10.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.298 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.624 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.686 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.45 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 46.6 m-20 -79.5 -40.72 29.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 10.0 109.339 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 15' ' ' PHE . 73.2 t -129.53 137.93 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 10.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.59 HG23 ' HB2' ' A' ' 15' ' ' PHE . 1.4 m -120.75 162.72 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 10.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 5' ' ' THR . 10.0 t -154.25 112.57 3.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 110.445 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.463 ' HB2' HG12 ' A' ' 13' ' ' VAL . 22.9 m-30 -94.82 143.85 26.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 10.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.51 120.91 20.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 10.0 110.293 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.459 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 23.0 m-20 -111.84 -11.25 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 10.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 8' ' ' ASN . 3.1 tptm 85.05 -49.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 10.0 109.233 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.48 67.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 10.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.488 ' O ' ' CE1' ' A' ' 66' ' ' HIS . . . 100.24 93.42 2.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 10.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -69.61 133.17 47.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 10.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.693 HG13 ' O ' ' A' ' 13' ' ' VAL . 9.8 p -73.98 95.67 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.59 ' O ' HG22 ' A' ' 14' ' ' THR . 5.6 m -73.0 60.3 0.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.148 . . . . 10.0 110.4 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.903 ' CE1' HBB3 ' A' ' 128' ' ' HEC . 4.8 m-85 -47.38 173.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 10.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.591 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 18.1 m-20 -148.26 127.75 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 10.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -103.0 -47.85 4.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 10.0 109.618 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -90.18 -40.94 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -60.84 -31.55 70.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 10.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.438 ' ND1' ' HB2' ' A' ' 16' ' ' ASP . 8.8 m170 -84.25 -64.53 1.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 10.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -39.35 -54.14 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 10.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -37.22 -31.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 10.0 110.29 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.2 mmtt -103.33 -47.84 4.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 10.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.885 HD22 HMC1 ' A' ' 98' ' ' HEC . 3.7 mp -75.71 -115.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 10.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 159.34 37.74 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.463 1.102 . . . . 10.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.615 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER 70.68 -54.48 0.65 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.282 -1.007 . . . . 10.0 108.282 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 25' ' ' GLY . 62.1 m-20 -60.94 68.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 10.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.639 ' HB3' HBC3 ' A' ' 98' ' ' HEC . . . -140.17 -59.37 0.54 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.566 1.166 . . . . 10.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.28 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.5 OUTLIER -113.11 -8.83 13.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 10.0 108.403 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -102.19 -171.77 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.614 1.196 . . . . 10.0 109.583 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 170.96 101.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 10.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.17 91.66 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 10.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 m 68.3 105.44 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 10.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.552 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.98 148.88 36.0 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 10.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.85 175.01 14.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -67.65 107.05 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.601 1.188 . . . . 10.0 109.291 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 38' ' ' ALA . 28.5 mt -73.18 164.96 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 10.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.494 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -100.04 90.53 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 10.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.895 HG23 ' HB2' ' A' ' 44' ' ' ALA . 39.1 mm -96.77 137.29 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 10.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 175.45 -75.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 10.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -133.21 142.46 48.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 10.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.07 -57.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.725 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 2.6 m -91.81 52.86 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 10.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.895 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -179.34 -36.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 10.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -103.97 2.7 32.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 10.0 109.606 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -123.05 -153.08 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 10.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -39.89 -38.46 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 10.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.725 ' HB2' ' HA ' ' A' ' 43' ' ' SER . . . -38.4 -48.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.631 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 61.9 m -113.07 -71.44 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 10.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.13 88.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 10.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' CYS . 7.0 t -173.27 -42.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.0 t -99.71 -40.35 7.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 10.0 108.314 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.415 ' C ' ' N ' ' A' ' 55' ' ' SER . 5.4 m170 -58.16 -24.35 58.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 10.0 109.575 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -46.76 -25.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 10.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 53' ' ' HIS . 8.4 t -105.72 -56.06 2.24 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.129 . . . . 10.0 110.059 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.658 ' CG ' HMD3 ' A' ' 128' ' ' HEC . 0.8 OUTLIER -86.72 133.88 33.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 10.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.2 t-20 77.22 176.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 10.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.77 84.73 0.37 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.504 1.127 . . . . 10.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.524 ' O ' ' CB ' ' A' ' 60' ' ' THR . 18.1 Cg_endo -75.1 -160.53 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 10.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.524 ' CB ' ' O ' ' A' ' 59' ' ' PRO . 2.3 m 84.47 -49.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 10.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.27 173.21 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 10.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.594 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 3.3 m -72.92 60.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 10.0 108.261 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . -146.09 -40.73 0.05 OUTLIER Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.542 1.151 . . . . 10.0 111.056 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 63' ' ' GLY . . . -32.13 -38.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.067 -0.813 . . . . 10.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.682 ' CB ' HMB3 ' A' ' 128' ' ' HEC . 0.8 OUTLIER -141.75 -61.56 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.317 -0.994 . . . . 10.0 108.317 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.488 ' CE1' ' O ' ' A' ' 11' ' ' GLY . 40.7 m-70 -51.4 149.38 4.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 10.0 109.593 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.8 mt -121.83 75.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 10.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 10.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.28 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.631 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.594 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.637 ' O ' HG23 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.346 -0.612 . . . . 10.0 109.346 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' ALA . 7.5 m-20 38.48 51.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 10.0 109.339 -179.926 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 3' ' ' VAL . 1.5 t 57.05 103.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 10.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 1' ' ' ALA . 2.3 t -114.42 151.4 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 10.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -125.05 99.0 5.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 10.0 110.427 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.55 ' CE1' HG11 ' A' ' 4' ' ' VAL . 4.3 m-30 -86.0 127.75 34.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 10.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -113.44 97.22 6.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 10.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.72 156.46 17.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 10.0 109.341 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -49.15 -54.16 17.63 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.486 1.116 . . . . 10.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.67 -64.65 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 10.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.98 -135.75 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.105 . . . . 10.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -139.62 139.07 36.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 10.0 109.218 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.936 HG23 ' HB2' ' A' ' 65' ' ' CYS . 3.4 p -109.54 -17.17 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 10.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.683 HG22 ' H ' ' A' ' 15' ' ' PHE . 7.0 m 46.43 -174.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 10.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.777 ' CZ ' HG21 ' A' ' 39' ' ' ILE . 26.4 m-85 -164.49 144.25 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 10.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.568 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 5.2 m-20 -129.36 117.34 20.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 10.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.565 ' CE1' ' NB ' ' A' ' 98' ' ' HEC . 8.5 t-80 -122.34 -65.46 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 10.0 109.589 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 3.9 tttt -65.18 -39.56 93.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.552 1.158 . . . . 10.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.5 -40.29 70.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.568 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -68.29 -53.43 24.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 10.0 109.566 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.698 ' HB1' HBB2 ' A' ' 98' ' ' HEC . . . -42.94 -39.43 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 10.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 2.2 mt-10 -53.3 -47.65 69.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 10.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -85.22 -52.81 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 10.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.748 HD23 ' CB ' ' A' ' 28' ' ' ALA . 6.7 mp -63.27 -118.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 10.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 158.68 36.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 10.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 67.41 -66.04 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.317 -0.994 . . . . 10.0 108.317 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 25' ' ' GLY . 3.0 p30 -39.97 -29.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 10.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.748 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -61.59 -43.95 97.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 10.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.316 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 72.2 m -98.21 -52.57 3.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 10.0 108.29 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 26' ' ' CYS . 8.4 m-70 -97.41 -169.9 1.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 10.0 109.632 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 177.63 104.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 10.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.82 -62.65 0.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 m -162.93 114.7 1.08 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 10.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.91 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.3 Cg_endo -75.01 140.82 25.87 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.573 1.828 . . . . 10.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -145.19 -48.85 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 10.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.478 ' CD ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -178.95 149.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 10.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.894 HD12 ' C1D' ' A' ' 98' ' ' HEC . 49.4 mt -113.0 -13.74 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 10.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.478 ' HB2' ' CD ' ' A' ' 36' ' ' LYS . . . 48.99 98.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 10.0 109.295 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.777 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 19.1 mm -105.29 126.63 60.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' LYS . 14.2 t0 -178.4 158.96 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 10.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 4.8 ttpt -39.46 140.0 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 10.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER 90.58 -58.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 10.0 109.275 179.961 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -72.39 -67.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 10.0 110.03 179.965 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.777 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -51.66 -21.63 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 10.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -86.34 6.4 30.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 10.0 109.579 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 43' ' ' SER . 19.4 mttt -125.53 -164.48 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 10.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' ALA . 16.0 m-20 -39.26 -33.86 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 10.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -37.45 -83.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.324 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.652 ' SG ' HMB1 ' A' ' 128' ' ' HEC . 9.4 t -95.91 -59.47 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 10.0 108.303 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 2.9 tptm -60.92 98.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 109.231 -179.916 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 52' ' ' CYS . 15.0 t -176.02 -51.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 110.364 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.448 ' N ' HG23 ' A' ' 51' ' ' THR . 1.8 t -76.56 176.26 8.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 108.298 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.523 ' CE1' ' NB ' ' A' ' 128' ' ' HEC . 13.5 m80 82.23 -49.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 10.0 109.589 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.513 ' HB3' HG21 ' A' ' 60' ' ' THR . 0.0 OUTLIER -84.24 64.05 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 10.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.3 t -171.22 -46.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 10.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -101.98 -57.72 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 10.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -178.69 117.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 10.0 109.36 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 151.41 157.4 7.86 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 10.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.409 ' CB ' ' HA2' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -74.92 177.69 8.22 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.551 1.817 . . . . 10.0 111.077 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.513 HG21 ' HB3' ' A' ' 54' ' ' LYS . 4.1 t -175.39 -36.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.485 1.115 . . . . 10.0 110.388 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 60' ' ' THR . 2.4 ptpt -36.91 -46.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 10.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.655 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 1.0 OUTLIER -162.74 -51.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 108.299 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.57 42.2 3.13 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.534 1.146 . . . . 10.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.409 ' HA2' ' CB ' ' A' ' 59' ' ' PRO . . . -77.33 -34.62 40.15 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.902 -0.879 . . . . 10.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.936 ' HB2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -130.92 -51.36 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 -179.91 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -53.88 117.77 3.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 10.0 109.518 -179.947 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' A' ' 67' ' ' ILE . 12.7 mm -109.7 120.64 61.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 10.0 109.242 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' ILE . 1.5 ttmp? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 10.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.316 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 0.84 HBC3 HMC1 ' A' ' 128' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.655 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.4 OUTLIER 82.91 -42.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 10.0 109.198 179.919 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 2' ' ' ASP . 2.3 t -153.81 105.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 10.0 109.333 -179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 4' ' ' VAL . 2.6 t -82.45 90.66 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 10.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -77.06 124.88 28.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 10.0 110.444 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.584 ' HB2' HG13 ' A' ' 13' ' ' VAL . 1.1 m-85 -113.88 123.89 50.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 10.0 110.959 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -87.8 128.83 35.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -141.19 174.14 10.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 12.83 25.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 10.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.9 72.09 1.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.425 1.078 . . . . 10.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.17 -127.12 7.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 10.0 111.045 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.24 120.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 10.0 109.39 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.678 HG11 HBD2 ' A' ' 158' ' ' HEC . 2.6 p -95.49 85.18 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 10.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 14' ' ' THR . 14.9 t -76.26 72.3 3.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 10.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.924 ' CE1' HBB2 ' A' ' 128' ' ' HEC . 1.9 t80 -47.24 176.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.374 1.046 . . . . 10.0 111.058 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.98 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -144.21 124.75 14.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 10.0 109.232 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.27 -59.22 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 10.0 109.627 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -81.24 -40.7 23.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 10.0 109.256 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.98 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -57.0 -38.91 73.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 10.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.569 ' CE1' ' OD2' ' A' ' 16' ' ' ASP . 5.2 m170 -73.98 -65.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 109.534 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -34.39 -40.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 10.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.2 mm-40 -39.05 -45.77 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 10.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' HIS . 12.2 mmtt -97.64 -43.16 7.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.088 . . . . 10.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.983 HD22 HMC1 ' A' ' 98' ' ' HEC . 3.1 mp -73.3 -109.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 10.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.97 41.1 0.06 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 10.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER 70.9 -55.79 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.323 -0.991 . . . . 10.0 108.323 179.98 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.5 68.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 10.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.913 ' HB1' HBC2 ' A' ' 128' ' ' HEC . . . -141.02 -55.26 0.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 10.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.302 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.1 OUTLIER -112.91 -13.22 13.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 10.0 108.28 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.479 ' CE1' HD11 ' A' ' 37' ' ' ILE . 49.1 m-70 -103.71 -179.26 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 10.0 109.526 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -179.2 104.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 10.0 110.363 -179.96 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.44 88.87 0.1 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 10.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m 70.49 104.44 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.738 . . . . 10.0 110.421 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.559 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.91 136.13 20.18 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 10.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -151.65 157.92 42.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 10.0 109.276 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' N ' HAA1 ' A' ' 98' ' ' HEC . 0.0 OUTLIER -43.48 137.43 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.36 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.479 HD11 ' CE1' ' A' ' 30' ' ' HIS . 41.1 mt -111.69 161.85 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 10.0 109.281 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.425 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -93.33 87.12 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 10.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.992 HG23 ' HB2' ' A' ' 44' ' ' ALA . 4.5 mm -118.31 117.58 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 10.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -143.24 -73.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 10.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.619 ' HE3' HMA2 ' A' ' 158' ' ' HEC . 0.0 OUTLIER -171.39 72.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 10.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.76 -45.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 10.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.857 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -101.48 -38.67 7.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 10.0 109.999 -179.963 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.992 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -56.35 -17.52 8.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 10.0 109.266 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -102.71 4.73 38.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 10.0 109.619 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.32 -154.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 10.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 48' ' ' ALA . 3.5 p-10 -47.14 -36.06 7.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 10.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.857 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -35.86 -47.06 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 10.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.603 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 57.5 m -121.4 -110.85 0.33 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 1.165 . . . . 10.0 108.255 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER 27.35 -124.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 10.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 50' ' ' LYS . 44.7 m 33.41 -99.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 1.444 ' SG ' ' CAC' ' A' ' 128' ' ' HEC . 1.9 t -41.2 -70.14 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 10.0 108.316 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.472 ' CE1' ' C1B' ' A' ' 128' ' ' HEC . 0.5 OUTLIER -38.15 -37.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 10.0 109.584 179.964 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' THR . 2.3 mtpt -85.2 51.74 2.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 10.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -149.67 -68.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 10.0 110.021 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -76.79 -68.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -89.56 175.24 7.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 10.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -128.69 76.07 0.41 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.456 1.097 . . . . 10.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.481 ' O ' ' C ' ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.08 3.83 5.31 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 10.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 59' ' ' PRO . 68.4 m -32.36 -66.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 10.0 110.451 179.914 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 139.98 58.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 10.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.586 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 77.2 m -44.47 -51.63 8.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 10.0 108.282 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -42.04 -27.59 0.41 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.455 1.097 . . . . 10.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 59' ' ' PRO . . . -52.68 -85.08 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.852 . . . . 10.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.427 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 36.7 m -68.18 -59.81 2.94 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.368 -0.975 . . . . 10.0 108.368 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -70.71 101.69 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 10.0 109.587 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.7 mm -72.71 76.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.406 1.066 . . . . 10.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 10.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.302 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.603 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.586 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 164.87 -48.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 10.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 4' ' ' VAL . 2.4 t -143.47 163.14 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 10.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.509 ' CG1' ' CE2' ' A' ' 6' ' ' TYR . 9.9 t -133.93 104.17 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.579 1.174 . . . . 10.0 109.281 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.6 m -122.59 116.39 23.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 10.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.52 ' HB2' HG12 ' A' ' 13' ' ' VAL . 37.7 m-85 -113.53 133.12 55.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.03 118.81 18.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 10.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -104.59 -175.8 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 10.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -69.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.95 57.78 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 10.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 139.45 -155.65 24.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 10.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -177.66 114.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.774 . . . . 10.0 109.305 179.931 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.579 HG22 ' H ' ' A' ' 15' ' ' PHE . 10.9 p -52.5 146.48 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 10.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 15' ' ' PHE . 33.5 m -119.48 26.79 9.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 10.0 110.426 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.579 ' H ' HG22 ' A' ' 13' ' ' VAL . 3.1 t80 -40.96 164.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 10.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.585 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -137.22 163.29 31.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 10.0 109.297 179.955 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.47 -49.44 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 10.0 109.611 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -41.06 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 10.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -59.44 -32.36 70.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 10.0 109.325 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.481 ' CE1' ' C1A' ' A' ' 128' ' ' HEC . 1.0 OUTLIER -82.95 -61.79 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 10.0 109.675 179.955 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.502 ' HB2' ' HHC' ' A' ' 98' ' ' HEC . . . -45.12 -27.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 10.0 109.235 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 20' ' ' HIS . 1.5 mm-40 -42.32 -48.7 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 10.0 110.235 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -103.06 -28.86 11.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 10.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.595 HD23 HBC2 ' A' ' 128' ' ' HEC . 4.8 mp -88.43 -113.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 10.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.47 175.91 28.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 10.0 110.974 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.371 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -83.3 4.03 28.89 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.251 -1.018 . . . . 10.0 108.251 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.96 11.46 25.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 10.0 109.245 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.99 -57.75 2.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 10.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.33 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 3.6 m -90.99 -31.42 16.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 10.0 108.343 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -101.78 -164.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 10.0 109.591 179.982 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 179.76 85.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 10.0 110.259 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.39 91.74 0.68 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.591 1.182 . . . . 10.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.1 m 63.49 104.99 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 10.0 110.429 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.575 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 18.1 Cg_endo -75.01 -166.68 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 10.0 110.957 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 175.7 -52.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER 178.96 160.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 10.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.623 HD12 ' C2D' ' A' ' 98' ' ' HEC . 2.6 mt -127.7 1.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 10.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 43.2 93.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 10.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.87 HG23 ' HB2' ' A' ' 44' ' ' ALA . 8.2 mm -104.7 128.51 58.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 10.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 42' ' ' LYS . 4.0 m-20 -152.78 163.13 40.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 10.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HG2' ' CAA' ' A' ' 158' ' ' HEC . 0.0 OUTLIER -70.25 58.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.239 -179.961 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -151.09 -49.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 10.0 109.311 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.751 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -107.97 -36.35 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 10.0 109.96 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.87 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -57.03 -18.3 13.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 10.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -101.19 3.57 41.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 10.0 109.583 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 1.3 tttp -111.16 -161.55 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 10.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 45.3 t0 -42.82 -27.91 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 10.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -41.72 -58.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 10.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 50' ' ' LYS . 81.1 m -118.52 -52.67 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 10.0 108.275 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -33.25 -78.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 10.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.516 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 2.1 m -32.76 -63.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.477 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -39.72 -77.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 10.0 108.265 179.957 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.436 ' CE1' ' CHB' ' A' ' 128' ' ' HEC . 4.1 m170 -43.04 -40.99 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 10.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.78 74.2 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.3 t -176.01 -62.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 10.0 110.025 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -106.35 -58.6 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 10.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -41.37 122.08 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 10.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.45 ' O ' HG23 ' A' ' 60' ' ' THR . . . -57.4 -64.94 3.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.574 1.171 . . . . 10.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.43 ' HB2' ' CA ' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -74.98 96.25 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.792 . . . . 10.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 58' ' ' GLY . 33.1 p -97.75 31.94 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 10.0 110.357 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -155.59 -162.77 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 10.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.649 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 12.8 m -46.94 125.78 7.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 10.0 108.306 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.85 -21.1 37.11 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.553 1.158 . . . . 10.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 59' ' ' PRO . . . -75.76 -27.5 62.76 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.011 -0.835 . . . . 10.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.0 m -126.56 -74.01 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -59.32 148.08 33.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 10.0 109.576 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.1 mt -125.16 88.31 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.601 1.188 . . . . 10.0 109.228 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 10.0 109.26 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.371 ' CAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 0.595 HBC2 HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.649 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -119.2 -48.04 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 10.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 80.5 t -129.99 110.76 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 10.0 109.363 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' PHE . 71.0 t -98.71 125.55 52.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 10.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.1 m -131.96 122.88 26.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 10.0 110.399 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.46 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 26.6 m-85 -113.15 117.18 31.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 10.0 110.999 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.39 106.9 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 10.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -98.04 -177.94 3.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 10.0 109.228 -179.948 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -64.12 -68.76 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 10.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -137.22 77.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 10.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.99 -38.41 0.04 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.53 1.144 . . . . 10.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 41.39 88.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 10.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 6' ' ' TYR . 7.5 p -84.45 121.83 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 10.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.5 m -104.63 63.3 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 10.0 110.377 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.773 ' CE1' HBB2 ' A' ' 128' ' ' HEC . 0.7 OUTLIER -53.02 171.32 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 10.0 111.033 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.868 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 7.1 m-20 -146.18 140.33 26.54 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 10.0 109.305 -179.925 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -104.28 -53.92 2.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 10.0 109.582 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -81.76 -43.54 18.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 10.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.868 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -57.52 -36.46 71.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 10.0 109.304 -179.917 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.548 ' CD2' ' ND ' ' A' ' 128' ' ' HEC . 6.2 m170 -78.4 -64.54 1.15 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 10.0 109.582 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.61 ' HB2' ' HHC' ' A' ' 98' ' ' HEC . . . -42.27 -46.9 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 10.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.11 -28.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 10.0 110.346 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.619 ' C ' HD23 ' A' ' 24' ' ' LEU . 69.6 mmtt -112.89 -20.05 11.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 10.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.846 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.08 -124.56 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 10.0 109.269 179.952 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 169.3 36.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 10.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.374 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.0 OUTLIER 65.62 -68.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.292 -1.003 . . . . 10.0 108.292 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 25' ' ' GLY . 81.9 m-20 -35.21 -33.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 10.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.911 ' HB1' HBC2 ' A' ' 128' ' ' HEC . . . -40.99 -41.39 1.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 10.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.279 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 3.4 m -110.71 -58.62 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 10.0 108.272 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.667 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -85.14 -159.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 10.0 109.6 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.14 122.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 10.0 110.287 -179.912 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.6 -58.5 0.93 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 10.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 m -141.87 106.84 5.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 10.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.728 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -75.01 -91.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.524 1.802 . . . . 10.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 34' ' ' PRO . . . 88.37 -55.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 10.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.18 175.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 10.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.886 HD12 ' C2D' ' A' ' 98' ' ' HEC . 3.5 mt -138.21 164.84 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 10.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.76 80.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.822 HG23 ' HB2' ' A' ' 44' ' ' ALA . 12.3 mm -107.56 123.5 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 10.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' LYS . 40.3 p30 -161.13 171.44 18.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 10.0 109.386 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 68.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 10.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -173.26 -46.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 10.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.657 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 69.6 m -106.74 -34.0 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 10.0 109.952 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.822 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -58.64 -17.39 21.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 10.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -102.11 2.28 37.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.594 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.4 -155.13 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 10.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -44.43 -29.54 0.71 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.467 1.104 . . . . 10.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -41.34 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 10.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.48 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 88.0 m -92.7 -74.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 10.0 108.345 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.99 100.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 174.08 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 10.0 110.375 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 1.45 ' SG ' ' HAC' ' A' ' 128' ' ' HEC . 0.7 OUTLIER -82.24 -42.79 18.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 10.0 108.35 179.995 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.401 ' C ' ' N ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -45.73 -27.53 0.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 10.0 109.574 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -46.19 -25.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 53' ' ' HIS . 16.4 m -97.34 -51.36 4.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 10.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.883 ' CG ' HMD3 ' A' ' 128' ' ' HEC . 4.8 m120 -97.13 124.89 41.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 10.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 21.1 m120 64.36 -72.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 10.0 109.264 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' ASN . . . 60.35 99.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.469 1.106 . . . . 10.0 111.087 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.568 ' HG2' HBC3 ' A' ' 158' ' ' HEC . 18.4 Cg_endo -74.95 163.71 34.87 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.531 1.806 . . . . 10.0 111.059 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 59' ' ' PRO . 1.1 m -175.04 -37.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 10.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.38 20.63 3.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 10.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.2 t 77.99 -58.87 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 10.0 108.337 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.88 48.77 3.95 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 10.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.21 -43.17 3.83 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.4 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 7.6 p -115.88 -41.31 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.274 -1.01 . . . . 10.0 108.274 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -64.55 169.22 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 10.0 109.617 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 91.5 mt -118.41 92.14 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 10.0 109.366 179.951 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 10.0 109.325 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.374 ' CAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.48 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.4 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.585 ' HB1' ' HB3' ' A' ' 18' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.719 ' HB3' ' CB ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -114.59 -11.95 12.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.383 1.052 . . . . 10.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 16' ' ' ASP . 5.8 m -37.05 151.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' THR . 11.9 t -121.99 69.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 10.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' VAL . 34.3 m -36.88 121.23 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 10.0 110.398 -179.932 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -130.11 95.11 3.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -69.78 156.41 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 10.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 5.9 p30 -159.32 170.83 20.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 10.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -60.5 -49.56 77.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.426 1.079 . . . . 10.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 10.0 109.351 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -136.72 -101.26 0.59 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.439 1.087 . . . . 10.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -160.68 124.33 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 10.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 13' ' ' VAL . 7.5 p -104.2 43.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 10.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.3 m -42.24 99.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 10.0 110.42 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.748 ' CZ ' HBB3 ' A' ' 128' ' ' HEC . 1.2 m-85 -56.6 -166.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 10.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.583 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 7.6 m-20 -163.55 94.29 0.78 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 10.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.719 ' CB ' ' HB3' ' A' ' 2' ' ' ASP . 0.4 OUTLIER -88.98 -38.24 14.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.583 1.177 . . . . 10.0 109.631 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.648 ' N ' ' HB3' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -61.91 -79.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 10.0 109.274 -179.942 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.608 ' HB1' ' O2D' ' A' ' 128' ' ' HEC . . . -37.64 -48.21 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 10.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 3.2 m80 -63.31 -67.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 10.0 109.577 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 17' ' ' HIS . . . -40.59 -34.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 10.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.3 mm-40 -61.0 -46.72 89.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 10.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 20' ' ' HIS . 2.3 mmtp -88.72 -52.66 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 10.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.852 HD22 HMC1 ' A' ' 98' ' ' HEC . 3.0 mp -67.69 -112.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 10.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.459 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 148.44 42.48 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.53 1.143 . . . . 10.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.717 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 70.51 -53.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.378 -0.971 . . . . 10.0 108.378 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' GLY . 1.1 m-20 -57.7 66.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.717 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -150.64 -45.3 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 10.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.289 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 75.2 m -104.91 -24.91 12.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 10.0 108.321 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.6 ' CD2' ' HB3' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -99.29 -171.84 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 10.0 109.66 179.917 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.7 57.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 10.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.0 99.06 2.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 10.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.7 m 68.93 104.5 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.44 0.729 . . . . 10.0 110.399 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.6 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 18.2 Cg_endo -75.0 -179.07 4.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.454 1.765 . . . . 10.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 173.52 -49.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.481 1.113 . . . . 10.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER 178.44 172.67 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 10.0 109.299 -179.921 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.902 HD12 ' C2D' ' A' ' 98' ' ' HEC . 1.7 mt -148.48 151.07 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 10.0 109.306 179.942 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.45 96.16 8.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 10.0 109.329 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.644 HG13 HMD1 ' A' ' 98' ' ' HEC . 37.7 mm -112.74 104.57 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 10.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' LYS . 9.5 p30 -159.09 -177.48 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 10.0 109.357 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -68.88 67.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 10.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' ASP . 76.6 tttt -168.64 -56.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 10.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.896 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -102.22 -33.44 9.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 10.0 109.996 179.983 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.469 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -64.68 -10.34 26.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 10.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.46 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 6.2 m170 -119.91 7.56 10.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 10.0 109.535 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.521 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -143.3 -124.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 10.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.564 ' O ' ' C ' ' A' ' 48' ' ' ALA . 16.9 m-20 -31.48 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 10.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.896 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -26.25 -74.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 10.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 1.6 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 60.6 m -96.99 -133.04 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 10.0 108.302 179.931 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER 34.74 36.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 10.0 109.251 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 49' ' ' CYS . 1.5 p -132.83 -106.12 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.579 1.175 . . . . 10.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.538 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 2.4 t -64.36 102.44 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 10.0 108.314 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER 168.45 -44.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 10.0 109.591 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.51 ' HG3' HG21 ' A' ' 60' ' ' THR . 1.0 OUTLIER -81.31 66.31 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 10.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.26 -54.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.107 . . . . 10.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -123.71 -71.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 10.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -124.96 101.65 7.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 10.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.5 89.22 0.11 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.542 1.151 . . . . 10.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 53.54 3.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 10.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.51 HG21 ' HG3' ' A' ' 54' ' ' LYS . 5.7 t -90.05 45.17 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 10.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -119.13 37.41 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 10.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 1.458 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 2.2 t 74.39 147.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 10.0 108.332 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' GLY . . . 75.83 -52.3 2.81 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 10.0 110.987 -179.942 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLY . . . -34.64 -67.72 0.25 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.471 ' SG ' ' HAC' ' A' ' 158' ' ' HEC . 2.4 m -68.83 -59.69 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.283 -1.006 . . . . 10.0 108.283 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 68' ' ' LYS . 83.9 m-70 -73.94 96.09 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 10.0 109.554 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.0 mm -63.93 81.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 10.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 66' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 10.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 98' ' ' HEC . . . . . 1.289 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 128' ' ' HEC . . . . . 1.6 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 158' ' ' HEC . . . . . 1.471 ' HAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 3' ' ' VAL . 76.6 t -133.45 70.02 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 10.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 73.8 t -53.55 144.03 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 10.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.7 m -136.5 143.71 43.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.497 ' HB2' HG13 ' A' ' 13' ' ' VAL . 5.7 m-85 -136.67 113.91 10.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 10.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.18 115.03 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -99.48 175.33 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 10.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.15 -28.66 25.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 10.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -121.92 65.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.02 -157.87 14.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.13 . . . . 10.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -152.52 156.09 38.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 10.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.564 HG23 ' HB3' ' A' ' 65' ' ' CYS . 8.0 p -128.33 66.82 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 10.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -58.29 98.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 10.0 110.396 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -73.96 178.49 4.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.471 ' OD1' ' HB3' ' A' ' 19' ' ' ALA . 4.8 m-20 -146.94 133.41 19.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 10.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.481 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -109.92 -59.48 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 10.0 109.626 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -79.69 -50.77 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 10.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.471 ' HB3' ' OD1' ' A' ' 16' ' ' ASP . . . -56.51 -27.94 58.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 10.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.58 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -88.92 -51.29 5.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 10.0 109.612 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -40.08 -29.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 10.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 20' ' ' HIS . 2.5 mt-10 -51.98 -56.32 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 10.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.06 -47.68 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.622 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 6.6 mp -60.72 -101.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 10.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 128.23 35.14 0.51 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 10.0 111.064 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 64.36 -75.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.328 -0.989 . . . . 10.0 108.328 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 25' ' ' GLY . 16.7 t0 -39.37 -31.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 10.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.622 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -48.21 -37.63 16.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 m -111.0 -58.29 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 10.0 108.309 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 27' ' ' ASP . 38.6 m-70 -76.65 173.81 11.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 10.0 109.57 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.01 91.58 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.95 103.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 10.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.0 m 67.4 104.72 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 10.0 110.369 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.546 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -74.98 -172.65 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 10.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 173.12 -55.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HD2' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -177.63 172.08 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 10.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 37' ' ' ILE . 46.4 mt -132.97 8.04 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 10.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.426 ' HB2' ' HD2' ' A' ' 36' ' ' LYS . . . 39.73 87.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 10.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.029 HG23 ' HB2' ' A' ' 44' ' ' ALA . 7.3 mm -122.18 143.16 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 10.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -172.17 -66.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.5 80.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 10.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 172.26 -49.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 10.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.71 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -92.56 -43.02 9.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 10.0 109.984 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 1.029 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -56.53 -18.56 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 10.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -100.24 4.41 44.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 10.0 109.622 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.446 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -113.12 -162.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 10.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 48' ' ' ALA . 44.8 m-20 -40.88 -29.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 10.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.31 -62.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 10.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 94.4 m -102.44 -64.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 10.0 108.323 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 51' ' ' THR . 0.5 OUTLIER -56.38 95.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 10.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER 171.51 -58.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 10.0 110.363 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 14.0 t -102.74 62.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 10.0 108.343 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.607 ' CB ' HG23 ' A' ' 60' ' ' THR . 15.2 m170 -148.95 -46.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 109.557 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.917 ' HG3' HG21 ' A' ' 60' ' ' THR . 43.7 mttt -61.85 80.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 10.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 53' ' ' HIS . 8.7 p 169.69 -50.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 10.0 109.964 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -120.25 173.47 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 7.9 t30 78.08 -66.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 10.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.94 -79.97 0.36 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 10.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.47 1.773 . . . . 10.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.917 HG21 ' HG3' ' A' ' 54' ' ' LYS . 47.5 m -112.52 -23.88 10.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 110.376 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -92.91 -158.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 10.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -44.74 135.8 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 108.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.44 -28.58 14.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 10.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.6 -66.04 2.31 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.564 ' HB3' HG23 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -87.35 -71.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.328 -0.99 . . . . 10.0 108.328 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -54.58 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 109.607 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 67' ' ' ILE . 11.2 tt -44.86 108.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 10.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 10.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.284 -0.635 . . . . 10.0 109.284 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -174.61 129.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 t -111.19 150.17 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 10.0 109.351 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -126.94 117.12 21.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 10.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -111.51 89.79 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 10.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -88.18 124.21 33.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 10.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -130.93 -176.57 4.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 10.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -70.13 -66.98 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.598 1.186 . . . . 10.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -40.24 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 10.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.48 128.04 1.89 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.089 . . . . 10.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -58.57 138.04 57.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.764 . . . . 10.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 13' ' ' VAL . 4.4 p -119.61 80.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 10.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.2 m -55.4 146.29 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 110.341 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -114.13 -172.49 2.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.393 1.058 . . . . 10.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.752 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 44.7 m-20 -158.64 127.04 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 10.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.427 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -103.39 -41.31 6.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 10.0 109.581 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -102.77 -26.59 13.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 10.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.752 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -74.91 -25.93 59.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 10.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.422 ' ND1' ' HB2' ' A' ' 16' ' ' ASP . 0.6 OUTLIER -96.96 -56.84 2.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 10.0 109.607 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -39.78 -47.12 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 10.0 109.326 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' ALA . 9.2 pt-20 -37.03 -33.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 10.0 110.232 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' ALA . 12.9 mmtt -109.52 -60.39 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 10.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.622 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 8.7 mp -41.54 -76.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 10.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.3 14.56 6.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 10.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 74.19 -68.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.358 -0.979 . . . . 10.0 108.358 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.14 -26.58 0.49 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 10.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.622 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -54.75 -38.65 67.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 10.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.521 ' SG ' HD23 ' A' ' 24' ' ' LEU . 12.8 m -105.96 -57.13 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 10.0 108.335 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.415 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 54.1 m-70 -79.9 178.79 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 10.0 109.596 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -156.08 96.93 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 10.0 110.32 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 58.9 97.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.438 1.086 . . . . 10.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.4 m 67.63 104.42 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.425 0.721 . . . . 10.0 110.439 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.415 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -74.93 -175.32 2.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 10.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -178.35 -50.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 10.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' O ' ' CG1' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -176.64 -172.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 10.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' A' ' 36' ' ' LYS . 23.2 mt -154.0 157.64 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 10.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.36 97.55 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 10.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.8 mm -134.88 112.82 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -166.21 -64.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 10.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' LYS . 17.0 tttt -143.78 -117.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 10.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -36.65 -46.13 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 10.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.696 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 5.1 m -50.4 -63.39 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 10.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.15 -16.83 14.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.092 . . . . 10.0 109.27 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -100.4 1.2 41.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 10.0 109.626 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -107.91 -158.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 10.0 109.289 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.53 -26.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 10.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -41.39 -58.82 1.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 10.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -107.47 -73.08 0.7 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 10.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -47.24 98.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.557 1.161 . . . . 10.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.579 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER -177.44 -72.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 10.0 110.384 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.579 ' N ' HG22 ' A' ' 51' ' ' THR . 16.6 t -93.4 64.48 3.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 10.0 108.313 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -159.36 -48.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 10.0 109.505 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.627 ' HB3' HG21 ' A' ' 60' ' ' THR . 1.5 pttt -71.18 73.32 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 10.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 t -171.55 -62.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 10.0 109.971 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -97.6 -60.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -40.81 -84.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 10.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.79 -64.28 0.6 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.539 1.149 . . . . 10.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 86.96 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 10.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.627 HG21 ' HB3' ' A' ' 54' ' ' LYS . 11.5 t -105.27 4.51 31.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 10.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 62' ' ' CYS . 8.6 pttt -110.43 -162.97 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 10.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.43 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -52.79 154.51 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 10.0 108.315 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLY . . . 84.58 -43.54 3.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 10.0 111.004 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' GLY . . . -37.01 -85.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.029 -0.829 . . . . 10.0 111.029 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.6 p -81.75 -54.68 5.18 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.285 -1.005 . . . . 10.0 108.285 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -60.69 128.68 37.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 10.0 109.659 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.9 mt -132.34 103.66 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 10.0 109.336 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 10.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 17' ' ' HIS . 33.0 m-20 . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 15' ' ' PHE . 7.9 p -85.8 144.13 10.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 10.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 4' ' ' VAL . 59.2 t -125.86 39.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.522 ' H ' HG22 ' A' ' 3' ' ' VAL . 9.9 m -42.21 131.6 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 10.0 110.371 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.432 ' HB2' HG22 ' A' ' 13' ' ' VAL . 2.2 m-85 -85.78 -173.97 4.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 10.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.26 42.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 10.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -59.91 177.95 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 10.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -99.45 7.73 45.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 10.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.569 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 0.0 OUTLIER -137.82 75.49 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 10.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.92 100.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 10.0 111.052 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -68.77 142.73 54.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.453 0.737 . . . . 10.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.432 HG22 ' HB2' ' A' ' 6' ' ' TYR . 9.6 m -91.47 154.81 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 10.0 109.217 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.0 m -102.75 71.39 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 10.0 110.476 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.809 ' O ' HG23 ' A' ' 3' ' ' VAL . 0.2 OUTLIER -44.93 164.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 10.0 110.992 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.533 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 3.7 m-20 -150.6 116.7 5.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 10.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.491 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.2 t-80 -105.08 -50.96 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 10.0 109.566 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 2.3 tttt -89.53 -34.62 16.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 10.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.508 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -65.85 -36.93 84.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 10.0 109.232 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.533 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -79.23 -59.71 2.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 10.0 109.571 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.89 -30.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 10.0 109.236 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.2 mm-40 -47.34 -52.63 15.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 10.0 110.291 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -90.6 -41.59 11.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 10.0 109.276 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.812 HD23 ' CB ' ' A' ' 28' ' ' ALA . 5.5 mp -71.74 -108.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 10.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 138.49 40.37 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.448 1.092 . . . . 10.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 70.08 -59.22 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.281 -1.007 . . . . 10.0 108.281 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' GLY . 15.9 m-20 -66.4 62.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 10.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.812 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -142.17 -47.18 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 10.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.25 -7.08 11.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 108.334 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.595 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 93.1 m-70 -115.45 -167.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 10.0 109.548 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.34 116.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 10.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.48 -53.07 3.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.563 1.165 . . . . 10.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.4 m -145.96 105.26 4.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 10.0 110.425 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.595 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -74.96 52.02 2.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 10.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.91 -174.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.66 117.29 16.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 10.0 109.276 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.2 mt -80.32 158.35 4.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 10.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.7 89.65 6.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 10.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.871 HD12 ' HB2' ' A' ' 44' ' ' ALA . 20.2 mm -112.34 137.35 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 10.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 178.49 -50.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 10.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 41' ' ' LYS . 1.6 tttt 178.29 58.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 10.0 109.27 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' LYS . 9.9 ttmt -164.22 -75.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 10.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.791 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -60.96 -49.16 78.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 10.0 110.072 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.871 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -62.48 -13.73 33.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -114.72 3.53 14.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 10.0 109.593 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 42' ' ' LYS . 20.3 tttt -107.89 -106.22 0.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 109.325 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.409 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 1.6 m-20 -109.47 -17.27 13.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 10.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.791 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -47.31 -55.9 7.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 10.0 109.316 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 51' ' ' THR . 0.8 OUTLIER -97.29 -67.72 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 10.0 108.269 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -54.89 90.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 10.0 109.226 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 49' ' ' CYS . 1.0 OUTLIER -175.77 -52.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 10.0 110.401 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.55 -57.11 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 10.0 108.328 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -48.41 -62.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 10.0 109.604 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -73.02 59.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 10.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -149.69 -47.26 0.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.438 1.086 . . . . 10.0 110.048 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -115.33 -68.73 0.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 10.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -176.98 130.19 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.071 . . . . 10.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.68 -168.04 37.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.566 1.166 . . . . 10.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.05 9.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 10.0 111.039 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.1 t -173.33 46.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 10.0 110.395 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 62' ' ' CYS . 12.4 ptmt -155.01 31.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 10.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 61' ' ' LYS . 3.8 t 81.57 -70.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 10.0 108.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.4 58.42 0.64 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.498 1.124 . . . . 10.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.5 -85.57 0.1 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.9 m -62.14 -51.39 68.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.339 -0.985 . . . . 10.0 108.339 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.569 ' CE1' ' O ' ' A' ' 10' ' ' LYS . 4.2 m-70 -65.6 141.51 58.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 10.0 109.632 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mm -128.14 110.55 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 10.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 10.0 109.343 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.239 -0.652 . . . . 10.0 109.239 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.827 HG13 ' O ' ' A' ' 15' ' ' PHE . 54.8 t -137.77 117.58 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.251 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' PHE . 3.2 t -89.85 158.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 10.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.407 ' N ' ' CG1' ' A' ' 4' ' ' VAL . 52.9 m -130.84 123.65 29.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 10.0 110.483 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -120.49 93.89 4.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.402 1.064 . . . . 10.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -81.03 134.23 35.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 10.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -134.22 170.4 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 10.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -51.82 -65.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 10.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -47.47 -68.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 10.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.31 -142.65 3.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.471 1.107 . . . . 10.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -148.13 156.73 42.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.796 . . . . 10.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.9 m -129.84 104.19 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.742 HG23 ' O ' ' A' ' 14' ' ' THR . 13.1 t -69.13 83.59 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 10.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.827 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.5 m-30 -47.93 167.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 10.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.544 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 7.5 m-20 -137.24 122.26 19.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 10.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -104.55 -60.86 1.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 10.0 109.598 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -85.22 -31.19 23.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.168 . . . . 10.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.96 -28.92 67.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 10.0 109.321 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.646 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -92.11 -50.3 5.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 10.0 109.548 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -38.94 -30.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 10.0 109.263 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' HIS . 1.9 mt-10 -54.62 -50.3 68.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 10.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 20' ' ' HIS . 10.9 mttt -92.26 -56.42 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 10.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.646 HD13 ' CB ' ' A' ' 20' ' ' HIS . 7.3 mp -47.33 -85.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 10.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 118.1 24.28 3.32 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.47 1.106 . . . . 10.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER 67.88 -69.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.319 -0.993 . . . . 10.0 108.319 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' GLY . 69.2 m-20 -39.85 -30.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 10.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -51.48 -43.63 62.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 10.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 26' ' ' CYS . 5.5 m -105.01 -51.38 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 10.0 108.282 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.533 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 4.8 m-70 -97.29 -153.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 10.0 109.658 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -139.52 -156.0 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 10.0 110.359 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.51 -20.67 7.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 10.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.1 m -151.75 107.87 2.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 10.0 110.397 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.533 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.3 Cg_endo -74.99 -164.96 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.516 1.798 . . . . 10.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 176.49 -49.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 10.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.08 -178.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 10.0 109.265 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.533 HG22 HG12 ' A' ' 39' ' ' ILE . 19.3 mt -150.51 148.52 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 10.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.52 98.85 11.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 10.0 109.293 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.684 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 3.4 mm -124.1 144.17 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 10.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 9.0 t0 -177.64 -67.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 10.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -178.37 67.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 10.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -169.48 -65.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 10.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.789 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -76.56 -47.39 22.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 10.0 110.026 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.684 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . . . -55.21 -18.63 6.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 10.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -101.2 6.77 43.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 10.0 109.641 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.431 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -118.08 -162.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 10.0 109.267 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.504 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 2.7 m-20 -43.72 -27.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.23 -54.36 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 10.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.512 ' O ' ' C ' ' A' ' 50' ' ' LYS . 58.4 m -120.9 -56.2 1.95 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.117 . . . . 10.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -31.8 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 10.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.504 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 2.6 m -33.56 -81.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 110.363 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 6.9 t -62.49 89.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 10.0 108.262 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.466 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 1.0 OUTLIER 165.04 -60.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 10.0 109.593 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -73.69 67.06 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 10.0 109.249 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -148.65 -45.97 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 10.0 109.995 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -106.84 -68.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 10.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.43 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 1.2 t30 -174.53 158.53 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.615 1.197 . . . . 10.0 109.356 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' A' ' 57' ' ' ASN . . . 136.33 -152.21 21.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 10.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.502 ' CG ' ' SG ' ' A' ' 65' ' ' CYS . 18.4 Cg_endo -74.96 135.15 18.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 10.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 m -168.79 -39.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 10.0 110.446 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 63' ' ' GLY . 4.9 ptmt -85.86 44.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 10.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 64' ' ' GLY . 10.6 t 65.37 -75.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 10.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -61.59 78.74 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.505 1.128 . . . . 10.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -152.4 -67.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.502 ' SG ' ' CG ' ' A' ' 59' ' ' PRO . 89.5 m -72.2 -55.68 6.83 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.285 -1.006 . . . . 10.0 108.285 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -74.13 89.91 2.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 10.0 109.607 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 67' ' ' ILE . 11.0 tt -44.16 108.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 10.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.467 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 15' ' ' PHE . 95.4 t -133.02 126.27 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 15' ' ' PHE . 34.5 m -116.45 147.57 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 10.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.455 HG23 ' OD1' ' A' ' 12' ' ' ASN . 4.9 m -134.75 98.14 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 10.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.468 ' HB2' HG12 ' A' ' 13' ' ' VAL . 95.4 m-85 -69.76 96.23 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 10.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.411 ' HA ' ' CB ' ' A' ' 12' ' ' ASN . 2.6 mt-10 -70.2 121.48 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 10.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 10' ' ' LYS . 26.6 p30 -129.97 -172.38 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 10.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -41.75 30.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 10.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' C ' ' OD1' ' A' ' 8' ' ' ASN . 1.5 mmmt -85.98 48.75 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.318 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.401 ' C ' ' OD1' ' A' ' 8' ' ' ASN . . . 90.92 -126.19 8.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.135 . . . . 10.0 111.056 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.455 ' OD1' HG23 ' A' ' 5' ' ' THR . 12.0 p30 178.27 141.37 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 10.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.468 HG12 ' HB2' ' A' ' 6' ' ' TYR . 4.1 p -88.34 122.66 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 10.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.416 ' O ' HG22 ' A' ' 14' ' ' THR . 6.1 m -89.98 74.81 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 10.0 110.455 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.554 ' O ' HG13 ' A' ' 3' ' ' VAL . 0.9 OUTLIER -56.35 171.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.961 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 22.1 m-20 -148.41 110.16 4.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 10.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -95.17 -49.5 5.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 10.0 109.546 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -96.15 -14.44 22.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 10.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.961 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -80.6 -25.54 38.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 10.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.552 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 0.9 OUTLIER -102.17 -56.0 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 10.0 109.587 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -40.67 -44.22 2.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 10.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.49 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 10.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.1 mmmt -117.65 -52.83 2.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 10.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.558 HD12 ' CB ' ' A' ' 28' ' ' ALA . 2.0 mm? -45.41 -86.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 10.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' CYS . . . 128.36 4.52 5.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 10.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.9 m 85.8 -67.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 30' ' ' HIS . 24.8 m-20 -41.35 -27.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 109.367 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.558 ' CB ' HD12 ' A' ' 24' ' ' LEU . . . -50.6 -47.78 58.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 10.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.95 -50.7 3.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.551 1.157 . . . . 10.0 108.307 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' A' ' 27' ' ' ASP . 31.7 m-70 -85.16 -168.42 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 10.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 172.77 98.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 10.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.76 81.76 0.57 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.444 1.09 . . . . 10.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 m 74.46 105.11 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 10.0 110.351 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.5 26.92 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.395 1.734 . . . . 10.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -173.59 179.09 2.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 10.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -75.85 108.71 8.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 10.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 38' ' ' ALA . 28.8 mt -77.28 164.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 10.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.474 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -81.42 98.44 8.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.586 1.179 . . . . 10.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.571 HG23 ' HB2' ' A' ' 44' ' ' ALA . 4.0 mm -120.27 135.78 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 10.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER 165.57 173.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 10.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -37.78 135.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 10.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER 89.82 -73.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 10.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.703 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 2.7 m -53.56 -62.13 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 10.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.571 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -57.47 -17.17 11.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.571 1.17 . . . . 10.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -100.55 0.84 40.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 10.0 109.614 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -106.98 -154.84 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 10.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -53.55 -23.35 10.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -41.13 -56.23 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 109.248 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 m -109.29 -60.19 1.8 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 10.0 108.233 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 51' ' ' THR . 6.8 mtpt -55.26 98.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 109.368 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.584 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 168.75 -72.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 10.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.584 ' N ' HG22 ' A' ' 51' ' ' THR . 1.2 t -72.88 -8.47 55.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 10.0 108.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.4 ' ND1' ' HA2' ' A' ' 58' ' ' GLY . 1.4 m170 -98.42 27.56 4.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 10.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -107.1 -50.69 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 10.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 t -83.39 51.51 2.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 10.0 110.042 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 175.74 -163.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 10.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 58' ' ' GLY . 73.0 m-20 -61.46 -69.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 10.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . 37.59 91.59 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.428 1.08 . . . . 10.0 111.024 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 59.79 5.3 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.449 1.762 . . . . 10.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -85.9 44.54 1.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 10.0 110.405 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -114.71 28.61 8.61 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.579 1.174 . . . . 10.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER 88.04 -74.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 10.0 108.269 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.05 66.5 0.68 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.471 1.107 . . . . 10.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.0 -49.73 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.81 -44.11 6.5 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.346 -0.983 . . . . 10.0 108.346 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -88.06 104.79 16.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.395 1.06 . . . . 10.0 109.543 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 21.1 mt -102.72 96.92 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 10.0 109.348 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 10.0 109.253 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 4' ' ' VAL . 59.7 t 63.92 161.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 10.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 4' ' ' VAL . 98.1 t -144.01 58.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 10.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 t -40.47 160.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 10.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.491 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -143.59 111.09 5.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 10.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.28 127.68 32.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 10.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -141.23 -179.36 6.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 10.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -90.7 -37.88 13.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 10.0 109.353 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -101.22 51.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 10.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.9 141.93 1.07 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 10.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 12.4 p30 -73.92 149.0 41.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.805 . . . . 10.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' THR . 3.6 p -91.67 76.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' VAL . 1.9 m -38.03 111.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 10.0 110.378 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -84.5 -170.72 3.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 10.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.594 ' CB ' ' CG ' ' A' ' 20' ' ' HIS . 23.0 m-20 -153.37 110.29 3.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 10.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.6 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -109.17 -57.18 2.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 10.0 109.6 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.65 -47.56 10.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 10.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.488 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -59.28 -26.0 64.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 10.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.597 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -93.58 -50.37 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 10.0 109.623 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -45.52 -42.29 10.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 10.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -50.74 -23.98 3.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 10.0 110.287 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -116.34 -65.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 10.0 109.344 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.597 HD13 ' CB ' ' A' ' 20' ' ' HIS . 8.8 mp -38.64 -76.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 10.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.418 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 120.06 8.43 8.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.403 1.065 . . . . 10.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.425 ' C ' ' N ' ' A' ' 28' ' ' ALA . 1.1 m 76.13 -62.58 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' HIS . 8.8 p-10 -43.44 -27.62 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 10.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 26' ' ' CYS . . . -53.71 -40.73 66.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.0 m -105.05 -56.55 2.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 10.0 108.35 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.493 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 35.9 m-70 -85.52 -175.92 5.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 10.0 109.606 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 178.27 100.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 10.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.71 75.08 1.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 10.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.4 m 67.2 105.44 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.747 . . . . 10.0 110.405 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.493 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.5 Cg_endo -74.97 149.21 36.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 10.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -141.26 -45.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 10.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.27 -176.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 10.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 mt -142.95 157.71 17.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.76 78.12 4.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 10.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.576 HG23 ' HB2' ' A' ' 44' ' ' ALA . 27.3 mm -104.54 137.34 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.401 1.063 . . . . 10.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER 168.83 158.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 10.0 109.337 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 38.0 tttt -38.98 136.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 10.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 15.2 tttm 90.88 -68.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 10.0 109.234 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.61 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 33.1 m -59.16 -59.84 4.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 10.0 110.008 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.576 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -58.62 -17.11 19.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 10.0 109.371 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -98.83 -1.27 40.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 10.0 109.61 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.416 ' C ' ' N ' ' A' ' 48' ' ' ALA . 2.7 tttt -103.7 -158.56 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 10.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' ALA . 4.0 m-20 -46.66 -25.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 10.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.06 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 10.0 109.344 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 70.5 m -95.98 -67.96 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 10.0 108.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 51' ' ' THR . 0.7 OUTLIER -53.67 102.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.394 1.059 . . . . 10.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER 168.85 -59.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 10.0 110.367 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -52.47 65.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 10.0 108.287 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -56.75 -42.15 78.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 10.0 109.539 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -51.5 -30.25 19.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 10.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.5 t -52.32 -64.99 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 10.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -105.57 -76.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 10.0 109.375 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -169.37 159.73 8.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 10.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.25 -160.64 34.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 10.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.449 ' HB3' ' CA ' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -74.99 74.11 4.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 10.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.0 m -79.25 -43.34 23.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 10.0 110.377 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.41 ' CG ' ' N ' ' A' ' 62' ' ' CYS . 0.4 OUTLIER -97.02 -172.86 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 10.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.41 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -63.53 -177.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 10.0 108.321 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.71 28.82 3.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 10.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.449 ' CA ' ' HB3' ' A' ' 59' ' ' PRO . . . -107.12 -66.34 0.63 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.084 -0.806 . . . . 10.0 111.084 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.78 -64.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.285 -1.006 . . . . 10.0 108.285 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -56.1 160.29 2.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 10.0 109.603 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.1 mt -123.04 102.9 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 10.0 109.362 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.4 tttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 10.0 109.338 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 15' ' ' PHE . 14.5 p -172.16 128.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 10.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.477 HG12 ' CZ ' ' A' ' 6' ' ' TYR . 33.9 t -118.44 65.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 10.0 109.365 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.8 m -71.54 113.89 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 10.0 110.373 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.477 ' CZ ' HG12 ' A' ' 4' ' ' VAL . 37.1 m-85 -98.54 120.68 39.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.398 1.061 . . . . 10.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -88.52 115.91 26.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 10.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -116.58 -172.58 2.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 10.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -36.78 23.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 10.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.05 50.77 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 10.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.83 -124.55 7.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 10.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.424 ' O ' HD12 ' A' ' 67' ' ' ILE . 8.7 p-10 177.03 153.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 10.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -109.24 114.48 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 10.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.63 ' O ' HG22 ' A' ' 14' ' ' THR . 8.4 m -81.04 51.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 10.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.686 ' O ' HG23 ' A' ' 3' ' ' VAL . 83.5 t80 -46.61 168.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 10.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.447 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 20.6 m-20 -147.91 147.8 30.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 10.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.95 -54.61 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 10.0 109.551 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -85.52 -45.84 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 10.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.13 -29.3 65.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.549 1.156 . . . . 10.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.951 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -85.77 -52.61 5.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 10.0 109.582 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.11 -29.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 10.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 20' ' ' HIS . 1.3 mm-40 -47.11 -58.48 3.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 10.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -89.34 -47.38 8.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 10.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.951 HD13 ' HB3' ' A' ' 20' ' ' HIS . 1.4 mp -49.6 -87.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 26' ' ' CYS . . . 122.92 5.95 7.95 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.464 1.102 . . . . 10.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.8 m 83.82 -69.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.318 -0.993 . . . . 10.0 108.318 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -41.75 -28.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 10.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.508 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -50.21 -42.6 51.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 10.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.5 m -107.14 -54.35 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 10.0 108.355 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.47 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 47.2 m-70 -82.79 -176.85 6.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 10.0 109.579 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -160.63 112.62 1.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 10.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 44.34 92.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 10.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.0 m 69.6 105.15 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 10.0 110.363 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -75.02 -163.18 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 10.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 177.42 -58.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 10.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -177.2 172.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 10.0 109.279 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.7 mt -143.22 158.78 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 10.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.95 93.58 4.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 10.0 109.349 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.058 HD12 ' HB2' ' A' ' 44' ' ' ALA . 13.8 mm -123.3 139.62 49.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 10.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -171.93 -60.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 10.0 109.268 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.523 ' HA ' ' CE1' ' A' ' 45' ' ' HIS . 4.1 tmtt? -177.87 66.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 10.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.63 -77.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 10.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.755 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -66.81 -49.34 66.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 10.0 110.066 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 1.058 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -57.01 -17.55 10.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.593 1.183 . . . . 10.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.523 ' CE1' ' HA ' ' A' ' 41' ' ' LYS . 60.2 m80 -98.56 0.61 45.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 10.0 109.628 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.463 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -111.3 -164.88 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 10.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.476 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 7.3 m-20 -39.53 -29.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 10.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.16 -54.45 2.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 10.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 50' ' ' LYS . 3.7 m -123.64 -48.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 10.0 108.373 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 49' ' ' CYS . 2.8 mmtt -37.13 -55.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 10.0 109.321 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.476 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 6.8 m -68.16 -57.26 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 10.0 110.428 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.537 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 3.0 t -73.92 96.86 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 108.343 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER 162.76 -36.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 10.0 109.642 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -101.59 60.26 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 109.36 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.71 -49.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 10.0 109.951 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.33 -61.85 1.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 10.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -166.29 123.58 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 10.0 109.253 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 175.99 158.72 20.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.579 1.174 . . . . 10.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.477 ' HG2' ' CA ' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -75.01 138.87 23.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 10.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -144.52 16.58 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 10.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -28.59 54.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 10.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 44.1 t -177.23 -106.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 10.0 108.317 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . -56.89 -71.78 0.68 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 10.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.477 ' CA ' ' HG2' ' A' ' 59' ' ' PRO . . . 68.65 -57.86 0.49 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.015 -0.834 . . . . 10.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' GLY . 2.2 p -88.97 -1.22 58.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -96.48 139.37 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 10.0 109.595 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.424 HD12 ' O ' ' A' ' 12' ' ' ASN . 3.3 mp -102.36 91.18 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 10.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 10.0 109.241 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.7 t -110.49 156.4 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 10.0 109.37 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.473 HG11 ' CZ ' ' A' ' 6' ' ' TYR . 79.7 t -134.51 146.97 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 10.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.17 124.4 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 10.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.473 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 59.7 m-85 -118.26 133.87 55.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 10.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -87.98 143.72 26.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 10.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -154.64 170.06 22.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 10.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -102.19 26.21 7.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 10.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.56 59.95 0.69 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 10.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.84 139.11 0.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 10.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.38 138.29 38.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 10.0 109.313 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 13' ' ' VAL . 10.8 p -113.48 60.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 10.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -55.43 127.42 29.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 10.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -101.88 -179.73 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.391 1.057 . . . . 10.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.473 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 61.1 m-20 -143.11 133.81 25.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 10.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -107.87 -58.7 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 10.0 109.588 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.12 -33.73 16.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 10.0 109.262 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.33 66.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 10.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -88.13 -52.52 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 10.0 109.645 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -41.04 -29.35 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 10.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 20' ' ' HIS . 2.8 mt-10 -49.32 -51.2 35.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.168 . . . . 10.0 110.307 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.24 -40.5 10.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 10.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.687 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 6.2 mp -68.69 -105.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 10.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.526 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 133.83 40.19 0.19 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 10.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 61.83 -77.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 25' ' ' GLY . 7.2 m-20 -38.35 -41.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 10.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.687 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -39.38 -38.13 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 10.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.427 ' SG ' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -111.8 -59.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 10.0 108.242 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 73.5 m-70 -68.02 -162.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 10.0 109.607 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -166.67 95.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 10.0 110.374 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.36 96.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.535 1.147 . . . . 10.0 111.013 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.7 m 68.39 104.82 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 10.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.459 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.5 Cg_endo -75.0 -172.99 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.585 1.834 . . . . 10.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -176.14 -52.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 10.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -179.88 -177.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 10.0 109.322 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.452 ' CG1' ' O ' ' A' ' 36' ' ' LYS . 23.3 mt -154.33 142.81 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 10.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.474 ' HB3' ' HB2' ' A' ' 43' ' ' SER . . . -70.98 94.44 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 10.0 109.294 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.478 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 32.3 mm -116.86 110.65 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 10.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -172.56 -70.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 10.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -167.3 65.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 10.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.58 -72.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 10.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.8 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -77.51 -35.08 53.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 10.0 109.993 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 39' ' ' ILE . . . -62.45 -11.76 17.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 10.0 109.237 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -122.2 7.63 9.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 10.0 109.576 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 47' ' ' ASP . 16.6 mtpt -137.18 -119.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 10.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.508 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -37.2 -71.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.399 1.062 . . . . 10.0 109.259 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -31.82 -76.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 51' ' ' THR . 62.1 m -91.26 -132.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 10.0 108.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' CYS . 1.6 mmtt 37.32 32.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 10.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 52' ' ' CYS . 10.9 t -152.53 166.21 32.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 10.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.616 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 10.9 t 34.82 71.9 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 10.0 108.294 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 6.7 m-70 178.69 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 10.0 109.634 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.925 ' HA ' HG21 ' A' ' 60' ' ' THR . 25.1 mtmt -40.17 -31.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 10.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -111.76 -66.46 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.075 . . . . 10.0 109.963 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -53.73 157.57 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 10.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.26 -71.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 10.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 132.31 -69.07 0.54 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.491 1.119 . . . . 10.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 121.0 6.3 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.522 1.801 . . . . 10.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.925 HG21 ' HA ' ' A' ' 54' ' ' LYS . 80.8 p -115.48 -39.87 3.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 10.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -73.12 -149.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 10.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.19 168.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 10.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 49.85 31.28 16.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.432 1.083 . . . . 10.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.78 -62.15 0.65 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.923 -0.871 . . . . 10.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 p -108.64 -51.89 2.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.262 -1.014 . . . . 10.0 108.262 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -51.91 135.1 30.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 10.0 109.564 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.1 mt -89.24 94.84 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 10.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 10.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.3 t -141.58 144.57 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 10.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.522 ' HB ' ' CD1' ' A' ' 15' ' ' PHE . 4.8 t -136.29 57.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 10.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.3 m -69.68 103.27 2.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 10.0 110.347 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.478 ' HB2' HG22 ' A' ' 13' ' ' VAL . 46.6 m-85 -81.9 119.95 24.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 10.0 111.085 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -97.53 128.67 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 10.0 110.352 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -136.28 177.33 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 10.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -19.46 52.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.48 52.27 0.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 10.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.65 -141.7 15.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 10.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.3 p30 174.01 128.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 10.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.478 HG22 ' HB2' ' A' ' 6' ' ' TYR . 2.8 m -85.92 132.0 33.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 10.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.638 ' O ' HG22 ' A' ' 14' ' ' THR . 18.0 m -89.04 38.85 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 10.0 110.317 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.522 ' CD1' ' HB ' ' A' ' 4' ' ' VAL . 20.2 t80 -43.93 155.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 10.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.753 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 3.6 m-20 -141.22 150.68 42.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -109.99 -52.01 2.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 10.0 109.642 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.04 -37.13 13.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 10.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.753 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -67.79 -24.45 65.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 10.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -88.52 -48.6 7.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 10.0 109.625 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.78 -53.99 10.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 10.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -50.92 -21.4 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 10.0 110.327 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.652 ' C ' HD23 ' A' ' 24' ' ' LEU . 15.9 mmmt -102.16 -28.5 12.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 10.0 109.233 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.714 HD23 ' N ' ' A' ' 24' ' ' LEU . 1.4 mt -97.72 -121.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 10.0 109.369 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 174.15 35.34 0.04 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.476 1.11 . . . . 10.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.463 ' C ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 61.85 -74.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -42.88 -26.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 10.0 109.379 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.529 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -56.65 -39.76 74.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 10.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' CYS . 61.6 m -105.81 -51.49 2.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 10.0 108.272 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 27' ' ' ASP . 37.4 m-70 -91.52 -172.76 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 10.0 109.572 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 175.48 111.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 10.0 110.299 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.76 -62.14 0.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.108 . . . . 10.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -160.68 113.77 1.35 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 10.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.97 5.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 10.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -129.98 -44.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 10.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -179.92 158.6 0.77 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 10.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 37' ' ' ILE . 17.1 mt -121.85 -0.43 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 10.0 109.355 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 48.34 96.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 10.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.619 HD12 ' HB2' ' A' ' 44' ' ' ALA . 18.0 mm -119.48 135.84 58.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 10.0 109.236 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.96 -69.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.082 . . . . 10.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -178.4 52.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.505 1.128 . . . . 10.0 109.353 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.94 -79.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 10.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.77 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -50.74 -49.4 57.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 10.0 110.023 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.619 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -57.23 -17.11 10.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 10.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -101.02 0.74 38.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 10.0 109.544 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -109.53 -157.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 10.0 109.231 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.8 OUTLIER -47.97 -29.65 3.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 10.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.12 -61.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 10.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 51' ' ' THR . 88.7 m -122.51 -102.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 10.0 108.362 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER 35.51 -93.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 10.0 109.308 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.558 ' N ' ' O ' ' A' ' 49' ' ' CYS . 37.5 p -39.82 -66.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 38.1 t -49.73 95.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 10.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.538 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER 160.29 -29.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 10.0 109.615 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -76.65 55.95 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 10.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.4 t -137.04 -69.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 10.0 109.984 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -87.2 -64.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 10.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -87.8 -178.65 6.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.39 65.34 0.53 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.434 1.084 . . . . 10.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 54.55 3.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 10.0 111.01 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.5 m -65.38 -61.7 1.96 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 10.0 110.459 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 62' ' ' CYS . 1.8 ptmt -75.86 153.52 36.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 10.0 109.364 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 64' ' ' GLY . 83.6 m -41.62 -53.01 3.66 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.464 1.103 . . . . 10.0 108.216 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 62' ' ' CYS . . . -36.78 -32.07 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.137 . . . . 10.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -47.55 -75.61 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.923 -0.871 . . . . 10.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 9.1 m -76.78 -58.09 3.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.247 -1.02 . . . . 10.0 108.247 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' LYS . 30.5 m-70 -78.05 91.08 4.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 10.0 109.588 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.6 mm -56.66 90.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.441 1.088 . . . . 10.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 66' ' ' HIS . 5.9 mmtp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 10.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.411 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 40.5 t 70.05 127.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.395 1.059 . . . . 10.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.494 HG11 ' CE2' ' A' ' 6' ' ' TYR . 85.0 t -122.8 152.56 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 10.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -118.16 114.83 23.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 10.0 110.358 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.494 ' CE2' HG11 ' A' ' 4' ' ' VAL . 29.3 m-85 -116.89 80.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 10.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.34 139.03 58.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 10.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -138.25 160.96 38.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 10.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.97 -59.69 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 10.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.82 -79.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 10.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.4 -85.56 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.567 1.167 . . . . 10.0 110.977 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 179.05 135.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 10.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 p -114.45 45.6 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 10.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 m -42.51 120.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -77.11 177.19 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.369 1.043 . . . . 10.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.564 ' HB2' ' CD2' ' A' ' 20' ' ' HIS . 11.9 m-20 -143.79 126.58 16.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.366 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 2.1 t-80 -122.34 -62.47 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 10.0 109.646 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -27.28 39.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 10.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -80.94 -22.08 39.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 10.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.618 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -99.46 -43.22 6.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 10.0 109.573 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 17' ' ' HIS . . . -62.71 -12.34 23.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 10.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -72.45 -26.14 61.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.069 . . . . 10.0 110.307 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -118.83 -41.12 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 10.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.7 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 10.0 mp -57.31 -79.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.439 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 120.56 16.14 4.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 10.0 111.033 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.7 OUTLIER 76.05 -61.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.276 -1.009 . . . . 10.0 108.276 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -45.87 -26.43 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 10.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.7 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -60.37 -38.68 84.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 10.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' CYS . 19.0 m -104.25 -54.56 2.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 10.0 108.333 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CE1' HD11 ' A' ' 37' ' ' ILE . 61.2 m-70 -89.79 -174.64 4.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 10.0 109.579 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -176.38 100.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 10.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.48 87.53 0.2 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.413 1.071 . . . . 10.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.4 m 70.94 103.93 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 10.0 110.389 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 168.11 25.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 10.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -172.92 172.76 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 10.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -65.09 108.94 2.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 10.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 38' ' ' ALA . 82.7 mt -72.3 164.64 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 10.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.49 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -99.57 91.44 4.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 10.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.404 HG23 ' HB2' ' A' ' 44' ' ' ALA . 2.6 mm -105.67 138.41 30.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.14 . . . . 10.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER 176.8 173.58 0.42 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 10.0 109.329 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 59.78 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 10.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -157.41 -52.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 10.0 109.346 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.775 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -103.23 -36.37 8.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 10.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.404 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -54.94 -18.94 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 109.308 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -101.4 7.42 42.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 10.0 109.569 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -119.13 -161.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 0.7 OUTLIER -41.41 -29.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 10.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.91 -53.77 2.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 10.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.9 m -121.62 -53.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 10.0 108.273 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' O ' ' C ' ' A' ' 51' ' ' THR . 4.8 mttt -33.56 -78.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 10.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.577 HG22 ' N ' ' A' ' 52' ' ' CYS . 1.2 m -27.2 -85.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 10.0 110.384 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.577 ' N ' HG22 ' A' ' 51' ' ' THR . 9.0 t -61.42 83.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 10.0 108.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.486 ' HB3' ' CG ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER 166.97 -39.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 10.0 109.62 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -83.39 69.79 10.07 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 10.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.35 -54.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 10.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.4 -66.29 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 10.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -67.36 -78.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 10.0 109.268 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.89 79.04 1.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.429 1.08 . . . . 10.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.01 7.72 2.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.506 1.793 . . . . 10.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.506 ' C ' ' O ' ' A' ' 59' ' ' PRO . 32.2 m -30.28 -64.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 10.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -65.48 144.23 57.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 10.0 109.356 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 61.7 m -50.39 -43.55 54.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 10.0 108.282 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.71 -21.0 4.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.411 1.07 . . . . 10.0 111.016 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' A' ' 59' ' ' PRO . . . -60.86 -74.05 0.42 Allowed Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.045 -0.822 . . . . 10.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.56 -61.83 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.234 -1.024 . . . . 10.0 108.234 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -80.0 90.97 5.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 10.0 109.577 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.474 ' H ' HD12 ' A' ' 67' ' ' ILE . 3.8 mp -49.7 103.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 109.231 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tttt . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 10.0 109.343 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.307 -0.627 . . . . 10.0 109.307 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 15' ' ' PHE . 65.7 t 66.51 91.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 10.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 5' ' ' THR . 29.5 t -76.71 170.01 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.385 1.053 . . . . 10.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.532 ' N ' HG12 ' A' ' 4' ' ' VAL . 4.3 m -142.06 110.27 5.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.557 1.161 . . . . 10.0 110.369 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -109.64 82.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 10.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.88 134.18 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 10.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 11' ' ' GLY . 25.0 p30 -149.75 -171.52 3.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 10.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -34.2 14.22 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 10.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -86.43 51.65 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 10.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.462 ' O ' ' ND2' ' A' ' 8' ' ' ASN . . . 64.64 135.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.445 1.091 . . . . 10.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.61 140.32 56.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 10.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.527 ' O ' HG22 ' A' ' 13' ' ' VAL . 5.6 p -104.17 57.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 10.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' VAL . 4.0 m -37.54 111.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 10.0 110.431 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.58 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.8 t80 -81.19 171.3 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.503 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 4.9 m-20 -137.94 122.2 18.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 10.0 109.311 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -113.3 -47.61 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 10.0 109.551 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -87.11 -58.59 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 10.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.1 -29.8 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 10.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.503 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -75.85 -50.47 15.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 10.0 109.605 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.23 71.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 10.0 109.26 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -46.12 -44.27 15.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 10.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -104.27 -30.4 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 10.0 109.227 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 20' ' ' HIS . 1.7 mp -93.94 -115.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 10.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 164.42 -161.98 34.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 10.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -100.58 -27.96 13.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.361 -0.977 . . . . 10.0 108.361 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.37 -13.26 59.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 10.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.82 -48.69 65.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 10.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.5 m -103.07 -42.05 5.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 10.0 108.31 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.528 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 2.5 m-70 -102.23 -142.88 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 10.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.68 -160.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 10.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.23 -22.08 3.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 10.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.1 m -150.98 106.84 3.02 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 10.0 110.354 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.5 Cg_endo -74.93 -163.17 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 10.0 111.088 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 179.55 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 10.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -179.69 171.77 1.17 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 10.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.0 mt -146.13 145.4 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 10.0 109.298 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.18 109.9 20.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 10.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 mm -118.21 139.28 46.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 10.0 109.228 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 42' ' ' LYS . 19.9 p-10 175.83 160.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 10.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.34 70.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 10.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -170.48 -51.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 10.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.614 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 6.0 m -103.76 -34.97 8.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 10.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.91 -16.98 20.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 10.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -100.21 -1.42 36.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 10.0 109.555 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.14 -155.61 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 10.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.43 -23.89 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 10.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -41.03 -65.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 10.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.84 -70.58 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 10.0 108.286 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.46 100.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 10.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 179.91 -42.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.07 . . . . 10.0 110.361 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.45 -47.58 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 10.0 108.297 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.577 ' CE1' ' HD2' ' A' ' 59' ' ' PRO . 8.5 m170 -41.4 -54.79 2.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 10.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.87 79.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 10.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' HIS . 3.0 t 174.97 -34.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 10.0 110.016 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -136.78 171.71 14.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 10.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -50.95 121.52 6.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 10.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 173.69 179.78 44.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 10.0 111.075 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.577 ' HD2' ' CE1' ' A' ' 53' ' ' HIS . 18.4 Cg_endo -74.96 117.74 5.02 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.519 1.799 . . . . 10.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 m -119.29 -52.85 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 1.182 . . . . 10.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -111.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 37.9 t -138.32 -54.7 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 10.0 108.295 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.9 58.93 0.75 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 10.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.56 -52.34 0.07 OUTLIER Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 71.3 m -81.75 -55.2 4.78 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.258 -1.015 . . . . 10.0 108.258 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -80.98 119.66 23.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 10.0 109.647 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.5 mt -100.39 119.33 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 10.0 109.283 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 10.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.442 ' HA ' ' HB2' ' A' ' 18' ' ' LYS . 3.6 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.296 -0.631 . . . . 10.0 109.296 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.9 172.75 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 10.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 4' ' ' VAL . 24.5 t -142.13 72.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 10.0 109.346 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.5 m -43.96 155.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 10.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.485 ' CD2' ' CE1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -161.75 38.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 10.0 111.026 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.39 160.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 10.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.05 158.16 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 109.317 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -60.16 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 10.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.92 -72.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 10.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.01 -102.92 0.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 10.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -178.18 141.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 0.725 . . . . 10.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 13' ' ' VAL . 8.7 p -127.64 64.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 10.0 109.304 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -58.25 116.69 3.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 10.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.485 ' CE1' ' CD2' ' A' ' 6' ' ' TYR . 10.4 m-85 -76.25 -172.34 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 10.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.928 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -154.64 116.45 4.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 10.0 109.349 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -94.52 -54.58 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 10.0 109.582 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -83.08 -41.25 18.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 10.0 109.298 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.928 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -53.93 -29.25 41.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.648 ' HB3' HD13 ' A' ' 24' ' ' LEU . 12.5 m170 -98.06 -64.75 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 10.0 109.601 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -37.02 -38.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 10.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.01 -38.8 3.72 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 10.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.596 ' HG3' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -110.07 -55.98 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 10.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 20' ' ' HIS . 9.2 mp -39.21 -78.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 10.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 121.53 10.4 6.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 10.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.453 ' SG ' ' C ' ' A' ' 25' ' ' GLY . 1.8 m 81.79 -53.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.241 -1.022 . . . . 10.0 108.241 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -68.61 60.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 10.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -135.4 -49.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 10.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.94 -17.27 12.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.075 . . . . 10.0 108.267 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -100.62 -172.9 2.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 10.0 109.664 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.88 116.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 10.0 110.25 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.07 95.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 10.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.4 m 67.37 104.45 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 10.0 110.411 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 124.59 8.73 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.801 . . . . 10.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.79 168.17 20.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 10.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.6 116.06 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 10.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.0 mt -83.58 145.01 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 10.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.35 86.28 3.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 10.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.494 HG23 ' HB2' ' A' ' 44' ' ' ALA . 6.6 mm -104.46 141.76 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 10.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 42' ' ' LYS . 4.3 p-10 171.56 165.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 10.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 42' ' ' LYS . 3.4 ttpt -55.0 86.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 10.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER 176.9 -53.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 10.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.725 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -105.67 -36.8 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 10.0 109.985 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.494 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -56.19 -18.65 10.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -97.96 3.61 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.618 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.463 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -114.75 -164.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 10.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.507 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 4.6 t0 -40.89 -28.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 10.0 109.338 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -38.09 -57.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 10.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' LYS . 92.8 m -122.45 -50.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 10.0 108.31 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' CYS . 1.4 mmtp -34.13 -73.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 10.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.507 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 1.4 m -34.71 -80.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 10.0 110.384 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 8.9 t -59.42 101.09 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 10.0 108.255 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 59' ' ' PRO . 0.6 OUTLIER 160.38 -45.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 10.0 109.607 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -75.18 59.03 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 10.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -131.28 -52.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 10.0 110.009 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.0 -66.83 0.97 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.51 1.131 . . . . 10.0 109.321 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -101.24 -59.22 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 10.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.32 69.3 1.41 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 10.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.553 ' HG2' ' CE1' ' A' ' 53' ' ' HIS . 18.4 Cg_endo -75.05 56.38 4.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.783 . . . . 10.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.6 p -110.39 63.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 10.0 110.422 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 63' ' ' GLY . 4.4 pttt -159.87 43.71 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 10.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 68.25 -73.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 10.0 108.27 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -49.15 -23.26 3.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 10.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.94 -74.29 0.34 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.037 -0.825 . . . . 10.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -91.69 -68.36 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.271 -1.011 . . . . 10.0 108.271 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -51.9 150.01 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 10.0 109.629 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.1 mm -123.45 138.85 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 10.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 10.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.813 ' O ' HG23 ' A' ' 3' ' ' VAL . 2.6 p-10 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 2' ' ' ASP . 2.3 t -164.81 142.34 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 10.0 109.36 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 4' ' ' VAL . 89.0 t -130.88 70.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 10.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 m -74.93 93.67 2.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 10.0 110.433 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.465 ' HB2' HG22 ' A' ' 13' ' ' VAL . 23.3 m-85 -65.49 120.34 12.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 10.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -100.22 113.96 27.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 10.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -125.94 -175.25 3.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 10.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -101.6 38.54 1.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 10.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.85 -64.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 10.0 109.368 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 12' ' ' ASN . . . -152.83 -44.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.523 1.139 . . . . 10.0 110.981 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER 82.44 120.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 0.785 . . . . 10.0 109.261 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 6' ' ' TYR . 5.5 m -91.18 136.22 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 10.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.613 ' O ' HG22 ' A' ' 14' ' ' THR . 12.8 m -92.19 50.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 110.415 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -42.49 166.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 10.0 110.989 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.834 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 3.6 m-20 -149.74 129.63 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 10.0 109.242 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.0 -45.96 5.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.379 1.049 . . . . 10.0 109.573 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -32.5 21.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 10.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.834 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -69.76 -33.48 72.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 10.0 109.232 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.453 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -85.36 -57.3 3.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 10.0 109.608 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 22' ' ' GLU . . . -39.99 -59.95 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 21' ' ' ALA . 17.5 pt-20 -33.44 -39.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 10.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -96.43 -64.32 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 10.0 109.342 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.682 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 8.3 mp -45.45 -79.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 10.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.439 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 121.03 15.12 4.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.379 1.049 . . . . 10.0 110.959 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.0 OUTLIER 77.14 -63.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.254 -1.017 . . . . 10.0 108.254 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -44.66 -25.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 10.0 109.209 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.682 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -58.95 -43.49 91.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 10.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 26' ' ' CYS . 33.4 m -102.66 -50.15 3.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 10.0 108.315 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 36.3 m-70 -99.65 -151.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 10.0 109.638 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' CG ' ' N ' ' A' ' 32' ' ' GLY . 1.2 pt-20 -156.35 -142.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 110.27 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.439 ' N ' ' CG ' ' A' ' 31' ' ' GLU . . . -54.89 -28.76 48.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 10.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -143.22 106.87 5.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 10.0 110.365 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.658 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -75.04 -172.74 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.533 1.807 . . . . 10.0 111.053 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 166.48 166.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 10.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -65.32 110.51 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 10.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.9 mt -82.52 -11.21 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 10.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 60.4 90.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 10.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.879 HG23 ' HB2' ' A' ' 44' ' ' ALA . 4.8 mm -98.04 125.06 51.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 10.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.2 m-20 155.33 154.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 10.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 40' ' ' ASP . 14.0 mttm 82.21 -150.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 10.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.25 50.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 10.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.712 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 49.1 m -128.49 -60.66 1.11 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 10.0 109.987 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.879 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -56.61 -17.88 10.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 10.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -96.52 -0.71 48.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 10.0 109.638 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 48' ' ' ALA . 6.5 mttt -109.0 -163.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.477 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 8.9 p-10 -45.21 -24.46 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 10.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.712 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.48 -53.98 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 10.0 109.339 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.507 ' O ' ' C ' ' A' ' 50' ' ' LYS . 69.7 m -125.38 -53.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 10.0 108.313 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 49' ' ' CYS . 1.2 mttt -32.25 -71.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.603 1.189 . . . . 10.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.477 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 1.2 m -35.44 -70.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 10.0 110.418 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 1.1 t -75.49 81.76 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 10.0 108.314 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.45 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.7 OUTLIER 166.41 -31.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 10.0 109.659 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -61.1 -45.17 95.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 10.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 99.8 p -92.07 43.56 1.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 10.0 110.018 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.92 -172.7 2.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -124.72 122.09 36.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.12 -125.91 4.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.561 1.163 . . . . 10.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.484 ' C ' HG22 ' A' ' 60' ' ' THR . 18.3 Cg_endo -74.92 143.67 29.61 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.447 1.761 . . . . 10.0 111.042 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.484 HG22 ' C ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER 170.58 -31.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 10.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 63' ' ' GLY . 30.6 pttt -79.98 52.92 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 10.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 64' ' ' GLY . 44.6 t 64.88 -75.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 10.0 108.349 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -67.22 60.66 0.24 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.545 1.153 . . . . 10.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.476 ' CA ' ' HB3' ' A' ' 59' ' ' PRO . . . -129.84 -53.61 0.1 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.972 -0.851 . . . . 10.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.64 -41.87 20.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.334 -0.987 . . . . 10.0 108.334 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -95.98 94.42 7.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 10.0 109.686 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 tt -67.39 178.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 10.0 109.226 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 10.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 3' ' ' VAL . 7.5 p -174.03 74.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 10.0 109.317 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.1 t -56.63 157.43 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 10.0 109.263 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -135.71 125.41 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 10.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -124.26 88.38 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.428 1.08 . . . . 10.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.06 134.72 36.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 2.8 p30 -134.53 -176.33 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 10.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -62.65 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 10.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.17 -86.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 10.0 109.371 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -148.96 122.95 1.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.573 1.171 . . . . 10.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -45.28 146.79 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 0.722 . . . . 10.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 13' ' ' VAL . 13.0 p -125.66 52.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 10.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -47.92 116.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 10.0 110.416 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.723 ' CZ ' HG21 ' A' ' 39' ' ' ILE . 61.3 m-85 -75.18 -172.15 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 10.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.505 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 56.0 m-20 -149.65 125.28 10.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 10.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.59 -63.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 10.0 109.562 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.54 -47.69 18.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 10.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.508 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -58.12 -27.49 63.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 10.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.505 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -90.38 -53.49 4.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.557 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 23' ' ' LYS . . . -42.17 -50.01 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 10.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -41.67 -27.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 21' ' ' ALA . 15.5 mmtm -106.11 -54.81 2.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 10.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.598 HD23 ' CB ' ' A' ' 28' ' ' ALA . 6.0 mp -61.32 -106.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 10.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.528 ' O ' ' CB ' ' A' ' 26' ' ' CYS . . . 158.51 -47.15 0.44 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.451 1.094 . . . . 10.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.3 m 156.45 -66.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.327 -0.99 . . . . 10.0 108.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.454 ' HA ' ' O ' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -41.07 -28.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 10.0 109.351 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.598 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -39.47 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 10.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -100.52 -22.02 15.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.454 ' O ' ' HA ' ' A' ' 27' ' ' ASP . 86.2 m-70 -107.11 -160.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 10.0 109.608 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -148.81 -149.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 10.0 110.268 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.77 -18.95 54.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 10.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.3 m -154.84 109.13 2.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 10.0 110.438 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.564 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -74.97 -163.63 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 10.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 171.34 -57.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 10.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.07 156.56 1.04 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 10.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 29' ' ' CYS . 36.3 mt -130.16 146.05 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 10.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.5 106.72 19.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 10.0 109.292 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.723 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 8.1 mm -116.16 121.27 67.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 10.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.53 172.18 12.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 10.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -70.37 60.43 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 10.0 109.366 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.32 -49.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 10.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.755 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -107.62 -36.45 6.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.596 1.185 . . . . 10.0 110.03 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.505 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -56.32 -18.43 10.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 10.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -99.64 5.58 45.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 10.0 109.64 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 48' ' ' ALA . 1.3 mmtt -116.77 -165.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 10.0 109.278 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.484 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 73.0 m-20 -39.46 -29.49 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 10.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.52 -57.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.179 . . . . 10.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 50' ' ' LYS . 57.3 m -120.42 -51.59 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 10.0 108.351 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -33.74 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 10.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.484 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 1.5 m -32.92 -75.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 10.0 110.35 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 2.6 t -71.62 85.53 0.89 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 10.0 108.335 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.473 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER 165.19 -46.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 10.0 109.613 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.18 67.77 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 10.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.7 t -173.39 -60.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 10.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -88.68 -177.66 5.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 10.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -59.84 104.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 10.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.61 -155.43 8.2 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 10.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 162.78 36.54 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.447 1.762 . . . . 10.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 178.99 -35.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 10.0 110.361 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -91.41 36.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 10.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.6 t 41.98 87.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 108.323 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.23 -31.71 0.65 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.608 1.192 . . . . 10.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.24 -35.81 3.87 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.36 -45.03 8.0 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.337 -0.986 . . . . 10.0 108.337 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -97.12 102.61 14.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.407 1.067 . . . . 10.0 109.638 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 mt -70.9 96.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.6 tptt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 10.0 109.286 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 t0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 15' ' ' PHE . 14.4 p -164.98 146.68 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 10.0 109.241 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 4' ' ' VAL . 56.0 t -137.04 64.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.421 1.075 . . . . 10.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.699 ' OG1' HG23 ' A' ' 14' ' ' THR . 17.2 m -61.19 153.8 25.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 10.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -134.3 168.29 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 10.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -122.34 120.13 33.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 10.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -106.82 178.67 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 10.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -41.1 17.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 10.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.48 51.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.396 1.06 . . . . 10.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.93 -153.85 16.63 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.429 1.08 . . . . 10.0 110.96 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -151.66 131.85 13.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 10.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.08 126.89 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 10.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.699 HG23 ' OG1' ' A' ' 5' ' ' THR . 19.9 m -101.4 133.32 46.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 10.0 110.357 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.463 ' O ' HG23 ' A' ' 3' ' ' VAL . 7.1 m-85 -98.06 -178.57 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 10.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.978 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 62.9 m-20 -156.55 111.03 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 10.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -92.59 -49.33 6.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 10.0 109.623 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -44.82 12.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 10.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.978 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -52.41 -29.14 22.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 10.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 0.6 OUTLIER -94.27 -57.43 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 10.0 109.558 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -40.65 -50.9 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 10.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -38.03 -30.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 10.0 110.376 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -102.36 -53.51 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 10.0 109.287 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.992 HD23 ' HB3' ' A' ' 28' ' ' ALA . 5.4 mp -65.23 -102.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 10.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 26' ' ' CYS . . . 130.51 43.32 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 10.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.471 ' O ' ' O ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER 51.37 102.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.356 -0.979 . . . . 10.0 108.356 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 163.41 -29.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.992 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -74.25 -27.06 60.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 10.0 109.353 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.2 m -113.75 -47.92 2.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 10.0 108.326 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.442 ' CE1' HD11 ' A' ' 37' ' ' ILE . 16.9 m-70 -99.92 178.67 4.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 10.0 109.635 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 170.88 74.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 10.0 110.257 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.7 -48.78 0.95 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 10.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.7 m -147.35 106.5 3.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.736 . . . . 10.0 110.449 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 86.17 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.57 1.826 . . . . 10.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.31 179.77 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 10.0 109.351 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -70.6 113.14 7.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 30' ' ' HIS . 41.0 mt -76.07 159.95 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 10.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -99.82 91.92 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.792 HG23 ' HB2' ' A' ' 44' ' ' ALA . 11.1 mm -104.29 133.03 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 10.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER 173.15 163.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 10.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -31.69 134.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 10.0 109.257 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 13.9 tttm 91.29 -68.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -57.12 -65.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 10.0 109.97 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.792 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -55.23 -18.0 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 10.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -95.17 8.43 43.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 10.0 109.638 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' SER . 7.0 ttpt -120.5 -149.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 10.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -39.68 -43.65 1.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -32.26 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 10.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.584 ' O ' ' N ' ' A' ' 51' ' ' THR . 85.7 m -107.91 -104.01 0.35 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 10.0 108.313 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER 39.48 -90.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 10.0 109.334 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.584 ' N ' ' O ' ' A' ' 49' ' ' CYS . 7.7 t -38.88 -53.41 1.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 10.0 110.361 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.508 ' N ' ' CG2' ' A' ' 51' ' ' THR . 0.0 OUTLIER -53.89 165.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 10.0 108.282 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 55' ' ' SER . 35.9 m80 72.32 -58.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.599 1.187 . . . . 10.0 109.508 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -62.98 77.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER 177.08 -50.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 10.0 110.011 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -99.08 -73.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 10.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.446 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 2.9 t30 -179.93 160.46 0.89 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.525 1.141 . . . . 10.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.446 ' N ' ' CG ' ' A' ' 57' ' ' ASN . . . 127.89 -132.96 7.62 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 10.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 18.3 Cg_endo -75.02 110.51 3.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 10.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t -129.8 -43.9 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 10.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -61.5 -119.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 10.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 18.1 t -102.22 -76.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 10.0 108.357 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . -60.05 -82.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 10.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.19 -60.28 0.09 OUTLIER Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER -86.03 -54.16 4.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -63.14 129.79 41.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.109 . . . . 10.0 109.564 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.4 mm -87.45 75.26 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 10.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.7 pttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 10.0 109.31 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.513 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.735 HG12 ' O ' ' A' ' 3' ' ' VAL . 4.5 t 65.97 76.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 10.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 5' ' ' THR . 5.1 t -98.92 163.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 10.0 109.218 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.495 ' N ' ' CG1' ' A' ' 4' ' ' VAL . 5.3 m -143.57 93.48 2.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 10.0 110.367 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.666 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 24.3 m-85 -68.95 161.29 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 10.0 111.006 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' ASN . 11.4 mt-10 -139.91 41.66 1.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 10.0 110.37 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 7' ' ' GLU . 9.4 p30 -47.38 173.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 10.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -90.76 18.05 6.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 10.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.79 51.16 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 10.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.02 -132.32 10.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 10.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -175.16 146.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 10.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.495 ' O ' ' CE1' ' A' ' 15' ' ' PHE . 4.3 p -131.9 91.28 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 10.0 109.388 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -68.15 130.29 42.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 10.0 110.398 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.666 ' CE1' ' CD1' ' A' ' 6' ' ' TYR . 5.5 m-85 -97.89 165.62 11.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 10.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.608 ' CB ' ' CG ' ' A' ' 20' ' ' HIS . 30.9 m-20 -140.17 121.97 15.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 10.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.513 ' HB3' ' N ' ' A' ' 2' ' ' ASP . 6.0 t-80 -128.93 -63.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 10.0 109.609 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -38.05 89.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 10.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.79 -44.92 19.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 10.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.631 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.88 -46.06 86.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 10.0 109.608 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -42.94 -57.23 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 10.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -45.2 -25.56 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 10.0 110.25 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' HIS . 5.6 tttt -106.77 -76.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 10.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.639 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 9.1 mp -34.69 -86.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 10.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 124.36 31.68 0.89 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.458 1.098 . . . . 10.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.481 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 65.1 -75.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.355 -0.98 . . . . 10.0 108.355 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' GLY . 5.2 m-20 -34.56 -40.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 10.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.639 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -39.97 -38.74 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 10.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 26' ' ' CYS . 1.8 m -111.35 -60.02 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 10.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.546 ' CE1' HD11 ' A' ' 37' ' ' ILE . 14.5 m-70 -84.57 -159.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 10.0 109.679 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 30' ' ' HIS . 1.2 tt0 172.52 118.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 10.0 110.27 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.03 -58.52 5.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 10.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.1 m -148.81 108.34 3.5 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 10.0 110.424 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.529 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.3 Cg_endo -74.97 160.4 40.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 10.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -178.08 162.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 10.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.62 125.07 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 10.0 109.32 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.546 HD11 ' CE1' ' A' ' 30' ' ' HIS . 45.3 mt -95.76 -10.65 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 37' ' ' ILE . . . 73.07 100.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 10.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.628 HG21 ' CE2' ' A' ' 15' ' ' PHE . 20.1 mm -116.19 129.63 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 10.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -160.08 -75.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 10.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.85 76.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 10.0 109.351 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 173.76 -68.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 10.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.645 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -67.65 -43.91 79.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 10.0 109.957 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.453 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -58.3 -17.16 17.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 10.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -98.6 -2.12 39.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 10.0 109.639 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -104.2 -161.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 10.0 109.356 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 48' ' ' ALA . 9.8 t70 -41.53 -28.84 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 10.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.57 -70.29 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 10.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -102.74 -64.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 10.0 108.315 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -54.64 90.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 10.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER 176.54 -59.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 10.0 110.422 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -88.83 -52.5 5.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 10.0 108.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -40.82 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 10.0 109.642 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -78.13 80.76 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 10.0 109.229 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.05 -46.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 110.0 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -104.99 -87.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 10.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -53.47 -33.49 54.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 10.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' HD3' ' A' ' 59' ' ' PRO . . . 59.65 62.89 5.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.466 1.104 . . . . 10.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.0 1.26 7.94 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.787 . . . . 10.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' PRO . 3.3 m -37.2 -69.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 10.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.63 136.96 54.6 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 10.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -41.69 153.99 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 10.0 108.256 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.63 -24.69 26.72 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 10.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.2 -44.25 89.0 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 59.7 m -113.75 -63.23 1.48 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.277 -1.008 . . . . 10.0 108.277 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -77.12 100.81 5.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 10.0 109.577 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 67' ' ' ILE . 8.9 mt -89.06 66.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 10.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.17 . . . . 10.0 109.295 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' A' ' 18' ' ' LYS . 9.9 t0 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 15' ' ' PHE . 7.7 p -135.46 123.16 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.416 HG12 ' CE2' ' A' ' 6' ' ' TYR . 22.8 t -106.81 79.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 10.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -75.96 117.67 17.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 10.0 110.373 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.477 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 10.2 m-85 -111.94 104.22 12.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 10.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -60.35 117.4 5.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 10.0 110.364 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -98.6 -176.06 3.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 10.0 109.234 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -58.92 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 10.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -114.39 64.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.74 -170.19 31.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 10.0 111.054 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -161.31 106.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 10.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 6' ' ' TYR . 8.3 p -85.3 123.07 39.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 10.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.509 ' O ' HG22 ' A' ' 14' ' ' THR . 19.5 m -103.25 58.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 10.0 110.437 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.609 ' O ' HG23 ' A' ' 3' ' ' VAL . 0.9 OUTLIER -45.48 164.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 10.0 111.017 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.702 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 45.5 m-20 -138.79 133.99 32.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 10.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -107.43 -42.61 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 10.0 109.61 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.482 ' CB ' ' HA ' ' A' ' 2' ' ' ASP . 26.1 tttm -99.33 -28.48 13.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 10.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.702 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -72.47 -31.4 65.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 10.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.522 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -87.38 -53.07 5.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 10.0 109.649 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -38.39 -31.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 10.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' HIS . 2.4 mt-10 -53.21 -55.08 27.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 10.0 110.33 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' HIS . 6.9 mmtp -86.86 -54.9 4.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 10.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.661 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 7.2 mp -48.97 -82.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 118.89 21.55 3.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 10.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 m 69.41 -67.2 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.308 -0.997 . . . . 10.0 108.308 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' GLY . 4.9 m-20 -44.85 -29.53 0.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 10.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.661 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -53.14 -36.5 60.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 10.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.1 m -110.43 -56.37 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 10.0 108.296 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -84.21 -176.72 6.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 10.0 109.675 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.2 101.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 10.0 110.294 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.04 87.93 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 10.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.4 m 71.69 104.27 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.493 0.761 . . . . 10.0 110.42 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 165.5 31.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 10.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -166.31 -174.08 2.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 10.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 1.4 pttt -83.3 105.47 14.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 10.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 38' ' ' ALA . 46.2 mt -75.99 166.81 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 10.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.51 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -60.05 -118.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 10.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.777 HG23 ' HB2' ' A' ' 44' ' ' ALA . 0.9 OUTLIER 69.06 136.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 10.0 109.364 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER 162.22 -51.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 10.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' A' ' 43' ' ' SER . 15.5 mttt -135.06 -131.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 10.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -39.55 -30.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 10.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.77 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 5.3 m -55.63 -61.76 2.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.494 1.121 . . . . 10.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.777 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -58.48 -15.52 11.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 10.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -95.96 -3.85 44.37 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 10.0 109.598 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.7 -164.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 10.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.9 OUTLIER -46.61 -25.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 10.0 109.34 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.96 -56.19 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 10.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' THR . 4.4 t -108.56 -70.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 10.0 108.375 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -46.13 97.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 10.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.6 OUTLIER -178.14 -44.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 10.0 110.385 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.6 t -121.26 59.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 10.0 108.281 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -146.3 -45.48 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 10.0 109.623 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.33 77.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 10.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -164.86 -55.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 10.0 110.03 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -117.18 -60.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 10.0 109.233 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.64 -66.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 10.0 109.378 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 54.07 100.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.516 1.135 . . . . 10.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 61' ' ' LYS . 18.2 Cg_endo -75.06 -93.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 10.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.5 m 69.09 -57.63 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 10.0 110.473 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 59' ' ' PRO . 7.8 mttt -74.85 -0.32 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 10.0 109.229 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.436 ' C ' ' N ' ' A' ' 64' ' ' GLY . 0.1 OUTLIER 82.83 -53.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 10.0 108.255 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 64' ' ' GLY . . . -40.68 -26.64 0.14 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 10.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 62' ' ' CYS . . . -35.35 -65.81 0.41 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.018 -0.833 . . . . 10.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.1 p -117.84 -53.86 2.37 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.248 -1.019 . . . . 10.0 108.248 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.62 114.45 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 10.0 109.619 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.597 HG23 ' O ' ' A' ' 67' ' ' ILE . 13.7 tt -55.34 102.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 10.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 10.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 42.0 t 66.49 110.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 10.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.49 HG11 ' HE1' ' A' ' 6' ' ' TYR . 46.6 t -131.47 159.69 42.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 10.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 ' OG1' ' A' ' 14' ' ' THR . 93.5 m -131.65 117.88 19.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 10.0 110.429 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.49 ' HE1' HG11 ' A' ' 4' ' ' VAL . 3.3 m-85 -106.62 98.73 8.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 10.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.23 111.93 13.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 10.0 110.243 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -110.8 175.31 5.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 10.0 109.251 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -79.08 -44.87 21.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 10.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -91.59 52.07 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 10.0 109.225 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.99 -138.48 14.48 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 10.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 176.64 135.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 10.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p -107.67 120.21 58.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 109.305 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.498 ' OG1' HG23 ' A' ' 5' ' ' THR . 22.5 m -105.39 107.37 18.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 10.0 110.394 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.707 ' CE2' HG21 ' A' ' 39' ' ' ILE . 3.5 m-30 -67.52 154.58 41.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 10.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.601 ' HB2' ' CD2' ' A' ' 20' ' ' HIS . 1.2 m-20 -131.26 113.66 14.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 10.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -117.83 -63.04 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 10.0 109.564 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.8 OUTLIER -67.3 -46.81 72.46 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 10.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.36 -39.2 82.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.601 ' CD2' ' HB2' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -76.18 -62.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 10.0 109.631 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -36.68 -35.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.402 1.064 . . . . 10.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.5 mm-40 -43.35 -54.36 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 10.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -111.74 -51.27 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 10.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.794 HD22 ' HB1' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -45.69 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 10.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.39 -169.41 24.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.577 1.173 . . . . 10.0 110.942 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.465 ' C ' ' N ' ' A' ' 28' ' ' ALA . 1.8 m -89.63 -64.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.274 -1.01 . . . . 10.0 108.274 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.32 -28.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.794 ' HB1' HD22 ' A' ' 24' ' ' LEU . . . -40.12 -59.21 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 10.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.24 -42.09 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 10.0 108.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 34' ' ' PRO . 11.4 m-70 -93.14 -153.47 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 10.0 109.617 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -154.03 -131.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 10.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.24 -11.86 68.16 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.542 1.151 . . . . 10.0 111.022 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 m -148.97 106.11 3.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 10.0 110.412 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.505 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -74.97 165.81 30.55 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.481 1.779 . . . . 10.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 175.04 166.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 10.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' CG ' ' H ' ' A' ' 38' ' ' ALA . 2.2 ttmt -59.85 127.52 32.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 10.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 38' ' ' ALA . 20.0 mt -96.36 32.57 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 10.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 37' ' ' ILE . . . 28.9 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 10.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.707 HG21 ' CE2' ' A' ' 15' ' ' PHE . 21.5 mm -85.05 116.64 28.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 10.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' ALA . 2.0 m-20 178.25 170.01 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 10.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' SER . 6.5 mtpp -39.14 151.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 10.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 41' ' ' LYS . 16.4 mttt 68.1 -69.01 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 10.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -53.2 -70.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 10.0 109.882 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 40' ' ' ASP . . . -56.73 -18.19 11.67 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 10.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -92.2 2.36 56.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 10.0 109.587 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 48' ' ' ALA . 2.7 mttp -111.55 -162.9 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 10.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 48' ' ' ALA . 5.5 m-20 -39.54 -29.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 10.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' LYS . . . -37.0 -63.1 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 10.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -101.99 -77.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 10.0 108.273 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB2' ' CD ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -39.31 98.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 10.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' CYS . 1.6 t -176.11 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 10.0 110.435 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 53' ' ' HIS . 1.5 t -105.9 -66.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 10.0 108.367 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' CYS . 8.0 m170 -37.65 -49.15 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 10.0 109.586 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HG2' HG23 ' A' ' 60' ' ' THR . 2.2 mtpm? -77.53 64.92 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 10.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -177.08 -48.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 10.0 109.97 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' ASN . 4.9 t30 -102.39 -62.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 10.0 109.343 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 56' ' ' ASN . 1.3 m-20 -43.17 164.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 10.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.422 ' N ' ' CD ' ' A' ' 59' ' ' PRO . . . -75.32 -55.72 5.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.094 . . . . 10.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.442 ' HB2' ' N ' ' A' ' 64' ' ' GLY . 18.4 Cg_endo -74.99 174.32 12.98 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.489 1.783 . . . . 10.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.514 HG23 ' HG2' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -141.36 -45.71 0.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 10.0 110.398 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLY . 1.6 ptpt -118.18 132.36 56.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 10.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.6 m 66.6 -77.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 10.0 108.275 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -50.26 -20.87 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 10.0 111.069 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.442 ' N ' ' HB2' ' A' ' 59' ' ' PRO . . . -63.54 -93.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.027 -0.829 . . . . 10.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.6 m -66.91 -59.64 3.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.316 -0.994 . . . . 10.0 108.316 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -63.14 146.26 53.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 10.0 109.591 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 67' ' ' ILE . 92.6 mt -137.96 74.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 10.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 10.0 109.254 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.2 p -155.67 69.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 10.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.527 HG12 ' H ' ' A' ' 5' ' ' THR . 12.2 t -59.12 171.33 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 10.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.527 ' H ' HG12 ' A' ' 4' ' ' VAL . 1.6 m -151.19 166.12 31.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 10.0 110.393 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.727 ' CD2' ' CE2' ' A' ' 15' ' ' PHE . 16.4 m-85 -158.59 73.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 10.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -69.13 145.34 53.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 10.0 110.318 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 1.7 p30 -133.24 177.13 7.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 10.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -60.66 3.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.6 1.187 . . . . 10.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -46.01 -75.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 10.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -124.46 -122.02 2.63 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.443 1.09 . . . . 10.0 111.04 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t30 176.25 119.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.404 0.708 . . . . 10.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 6' ' ' TYR . 14.6 p -90.67 169.11 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 10.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.496 ' N ' HG22 ' A' ' 13' ' ' VAL . 45.9 m -150.47 113.47 4.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 10.0 110.365 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.727 ' CE2' ' CD2' ' A' ' 6' ' ' TYR . 10.0 m-30 -87.02 154.99 20.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 10.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.535 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 36.3 m-20 -127.34 126.94 43.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 10.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.61 -55.25 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 10.0 109.615 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -94.03 -12.0 29.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 10.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.29 -27.66 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 10.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.535 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -95.84 -43.26 7.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 10.0 109.616 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.12 -18.75 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 10.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.3 mm-40 -56.07 -45.9 79.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 10.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.13 -43.5 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 10.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.81 -98.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 10.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.99 -169.27 25.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 10.0 111.006 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.4 m -89.94 -56.23 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -56.37 -18.3 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 10.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.53 -60.75 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 10.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.29 -36.68 9.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 10.0 108.331 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' CYS . 45.9 m-70 -93.23 -177.49 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 10.0 109.571 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -179.18 110.89 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 10.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.35 87.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 10.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.0 m 71.75 104.97 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 10.0 110.345 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 160.78 39.4 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 10.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -162.81 -173.14 3.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 10.0 109.337 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.94 115.58 15.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 10.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.421 ' O ' ' O ' ' A' ' 38' ' ' ALA . 42.8 mt -79.8 149.82 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 10.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.597 ' O ' ' HB ' ' A' ' 39' ' ' ILE . . . -60.13 -122.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 10.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.597 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 1.0 OUTLIER 90.54 149.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 10.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.7 OUTLIER 154.83 173.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 10.0 109.351 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -65.54 63.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 10.0 109.333 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' ASP . 2.0 tttt 174.05 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 10.0 109.268 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.641 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 5.9 t -107.0 -37.29 6.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 10.0 109.997 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.91 -18.01 11.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 10.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -99.25 -0.5 41.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 10.0 109.559 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.53 -154.87 0.52 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 10.0 109.258 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.14 -24.97 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 10.0 109.359 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.29 -71.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.162 . . . . 10.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -107.55 -52.14 2.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 10.0 108.278 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 51' ' ' THR . 3.1 mtpp -61.27 96.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.628 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.8 OUTLIER 167.9 -72.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 10.0 110.385 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.628 ' N ' HG22 ' A' ' 51' ' ' THR . 1.7 t -63.69 -43.72 95.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 10.0 108.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -59.05 -33.67 71.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 10.0 109.581 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -73.82 67.68 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 10.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.7 -73.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 10.0 110.003 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -77.47 -84.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.404 1.065 . . . . 10.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -99.67 -67.13 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 10.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 57.69 158.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 10.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HA ' ' HA3' ' A' ' 64' ' ' GLY . 18.1 Cg_endo -75.04 -166.86 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.528 1.804 . . . . 10.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 178.29 -44.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 10.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.585 ' O ' ' N ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER -124.39 68.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 10.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.546 ' O ' ' C ' ' A' ' 63' ' ' GLY . 85.4 m 52.22 -85.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 10.0 108.306 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -23.76 -46.49 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.509 1.131 . . . . 10.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -35.6 -47.53 0.89 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.042 -0.823 . . . . 10.0 111.042 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.437 ' N ' ' HB3' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -103.71 -69.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.304 -0.999 . . . . 10.0 108.304 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 63' ' ' GLY . 18.6 m-70 -61.03 153.85 24.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 10.0 109.602 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.2 mt -84.07 91.74 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.436 1.085 . . . . 10.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 tptp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 10.0 109.286 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.68 ' C ' HG23 ' A' ' 3' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.68 HG23 ' C ' ' A' ' 2' ' ' ASP . 3.0 t 83.89 111.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 10.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.2 t -104.72 149.58 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 10.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 m -117.62 119.42 34.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 10.0 110.374 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -103.43 156.44 17.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 10.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -135.5 143.45 45.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 10.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -153.25 -178.13 6.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 109.244 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -93.44 32.34 1.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 10.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -165.46 60.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 10.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.06 -148.52 21.55 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 10.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -166.23 151.12 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 10.0 109.381 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 13' ' ' VAL . 6.6 p -124.82 96.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 10.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 14' ' ' THR . 1.3 m -77.25 85.33 3.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 110.416 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -47.44 162.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 10.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.55 ' CB ' ' ND1' ' A' ' 20' ' ' HIS . 1.1 m-20 -124.91 130.41 52.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 10.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.556 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -118.05 -54.71 2.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 10.0 109.586 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -86.64 -40.16 15.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 10.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.91 -31.08 72.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 10.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.725 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -87.9 -53.07 4.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 10.0 109.619 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -38.34 -30.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 10.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' HIS . 1.7 mt-10 -54.29 -50.74 66.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 10.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' HIS . 6.6 mmtm -95.18 -56.58 2.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 10.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.725 HD13 ' CB ' ' A' ' 20' ' ' HIS . 7.5 mp -45.38 -91.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 121.38 34.14 0.9 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.562 1.164 . . . . 10.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER 65.04 -75.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.279 -1.008 . . . . 10.0 108.279 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 25' ' ' GLY . 30.4 m-20 -38.12 -40.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 10.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -39.57 -30.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 10.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.449 ' N ' ' C ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -118.81 -65.42 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 10.0 108.331 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -68.37 -174.37 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 10.0 109.584 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.32 107.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 10.0 110.262 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.16 101.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 10.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.0 m 57.41 103.47 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.375 0.691 . . . . 10.0 110.466 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.655 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 -160.03 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 10.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 166.16 -46.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 10.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.29 178.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 10.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.429 HG22 HG12 ' A' ' 39' ' ' ILE . 3.7 mt -138.59 155.14 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 10.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.5 80.87 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 10.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.521 HG23 ' HB2' ' A' ' 44' ' ' ALA . 13.8 mm -101.79 127.47 55.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.164 . . . . 10.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER 175.52 162.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 10.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 10.8 mttm -39.48 141.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 10.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 3.6 tttp 87.85 -61.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 10.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.972 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -70.95 -63.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 10.0 109.93 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.521 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -55.27 -15.16 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 10.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.422 ' C ' ' CG ' ' A' ' 46' ' ' LYS . 13.3 m170 -92.78 -41.39 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 10.0 109.601 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 43' ' ' SER . 19.3 mttt -151.45 161.42 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 10.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 t70 60.95 15.19 5.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 10.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.972 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -150.51 -45.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.63 1.206 . . . . 10.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' THR . 6.0 m -111.1 -68.29 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 10.0 108.223 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 84.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 10.0 109.252 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' CYS . 14.7 t -171.58 -41.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 10.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.7 t -102.37 -13.22 17.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 10.0 108.364 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -96.06 17.43 15.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.604 1.19 . . . . 10.0 109.597 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -99.26 55.27 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 10.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.0 t -175.69 -55.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.498 1.124 . . . . 10.0 109.925 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -58.14 -169.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 10.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -129.74 127.41 40.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 10.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.43 -111.75 0.44 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 10.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 61' ' ' LYS . 18.3 Cg_endo -75.02 -90.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.505 1.792 . . . . 10.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 50.9 m 68.9 -58.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 10.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -93.2 164.59 13.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 10.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 61' ' ' LYS . 1.8 t -49.53 175.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 10.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.1 35.61 4.83 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.495 1.122 . . . . 10.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.98 -73.77 0.64 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.0 -0.84 . . . . 10.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.05 -43.33 99.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.237 -1.023 . . . . 10.0 108.237 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -69.81 106.11 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 109.62 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.0 mm -79.81 78.35 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 10.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 10.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.333 -0.618 . . . . 10.0 109.333 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 15' ' ' PHE . 13.6 p -174.28 114.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.3 t -82.3 132.5 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 10.0 109.231 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.429 ' HA ' HG23 ' A' ' 14' ' ' THR . 18.6 m -104.88 139.77 39.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 10.0 110.429 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -130.37 99.47 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 110.954 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.77 135.97 45.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 10.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -150.98 173.95 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 10.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -86.8 -68.84 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 10.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -46.84 -58.43 3.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.509 1.131 . . . . 10.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.22 149.29 13.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 10.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -93.16 151.81 19.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 10.0 109.345 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 13' ' ' VAL . 1.7 p -129.3 78.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 10.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.501 HG22 HG22 ' A' ' 3' ' ' VAL . 30.9 m -68.98 114.88 7.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 10.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.775 ' O ' HG23 ' A' ' 3' ' ' VAL . 91.1 m-85 -66.13 -170.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 10.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.853 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -150.13 111.46 4.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 10.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.19 -56.9 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 10.0 109.574 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.76 -17.75 26.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.853 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -78.5 -23.24 46.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 10.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.515 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -101.79 -51.84 3.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 10.0 109.559 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -47.52 -41.25 20.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 10.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' ALA . 8.3 pt-20 -37.55 -31.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 10.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . 8.9 mmtp -127.31 -47.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 10.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.472 HD13 ' HB3' ' A' ' 20' ' ' HIS . 0.3 OUTLIER -59.7 -100.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 10.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.54 173.19 14.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.474 1.108 . . . . 10.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -81.26 -28.58 34.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -84.95 -3.33 58.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 10.0 109.329 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.91 -15.59 26.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 10.0 109.326 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.1 m -127.95 -48.24 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 10.0 108.279 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' CYS . 57.0 m-70 -107.48 -164.28 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 10.0 109.588 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 2.3 mt-10 166.66 142.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 10.0 110.342 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.17 -60.84 1.43 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 10.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -149.15 111.32 3.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 10.0 110.43 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 114.7 4.09 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 10.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.64 160.82 37.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 10.0 109.342 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -46.48 103.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 10.0 109.346 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.576 HG23 ' N ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -61.0 171.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 10.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.576 ' N ' HG23 ' A' ' 37' ' ' ILE . . . -60.21 -117.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 10.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.677 HG23 ' HB2' ' A' ' 44' ' ' ALA . 4.8 mm 65.8 104.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 10.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' CG ' ' C ' ' A' ' 39' ' ' ILE . 0.0 OUTLIER 167.27 114.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 10.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' SER . 0.7 OUTLIER 66.86 -136.91 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 10.0 109.354 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -68.31 69.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 10.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.681 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -151.59 -61.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 10.0 110.001 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.677 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -59.7 -15.17 17.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 10.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -96.84 -1.02 46.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 10.0 109.604 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.2 -160.05 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 10.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -52.02 -21.83 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 10.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.01 -54.57 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 10.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 m -105.06 -80.72 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 10.0 108.284 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 51' ' ' THR . 1.2 ptmt -41.7 105.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 10.0 109.354 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.422 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER 171.74 -53.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 10.0 110.46 -179.894 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 48.0 t -104.55 40.94 1.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 10.0 108.325 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -133.13 -45.73 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 10.0 109.549 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -43.16 -33.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 10.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.9 t -48.96 -68.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 10.0 110.063 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -98.6 -67.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 10.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -162.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 10.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.44 65.7 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 10.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.37 3.93 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.503 1.791 . . . . 10.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -67.73 -68.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 10.0 110.463 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -72.45 151.42 42.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 10.0 109.243 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.2 m -48.75 153.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 108.291 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.56 -38.45 3.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.466 1.104 . . . . 10.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.18 -80.93 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.6 p -92.66 -49.86 5.88 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.298 -1.001 . . . . 10.0 108.298 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.66 150.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 10.0 109.578 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.5 mm -121.37 89.19 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 10.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 10.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.521 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 3' ' ' VAL . 1.0 OUTLIER 73.32 99.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 109.359 -179.917 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.592 HG11 ' CE1' ' A' ' 6' ' ' TYR . 3.9 t -124.91 156.31 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 10.0 109.361 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -132.3 97.16 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 10.0 110.431 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.651 ' HD2' HG13 ' A' ' 13' ' ' VAL . 20.0 m-85 -87.15 102.03 14.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 10.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.67 51.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 10.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -47.48 172.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 10.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -41.35 12.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -93.81 52.18 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 10.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.01 -141.69 17.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.551 1.157 . . . . 10.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 175.77 132.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 0.81 . . . . 10.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.651 HG13 ' HD2' ' A' ' 6' ' ' TYR . 7.4 p -118.68 109.6 27.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 10.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -105.79 123.17 47.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 10.0 110.427 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.434 ' CE1' HG22 ' A' ' 13' ' ' VAL . 15.8 m-30 -86.92 -174.14 4.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 10.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.602 ' OD1' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -154.51 40.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.521 ' HB3' ' N ' ' A' ' 2' ' ' ASP . 6.6 t-80 -34.5 -51.71 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 10.0 109.54 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -78.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 10.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.97 -46.29 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 10.0 109.354 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.847 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.5 -58.91 6.53 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 10.0 109.626 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -35.7 -34.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 20' ' ' HIS . 2.1 mt-10 -62.49 -57.18 12.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 10.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 20' ' ' HIS . 10.1 mmtt -78.82 -50.33 11.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 10.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.847 HD13 ' HB3' ' A' ' 20' ' ' HIS . 8.4 mp -57.78 -111.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 10.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 139.57 40.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.141 . . . . 10.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.519 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 61.98 -78.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.274 -1.009 . . . . 10.0 108.274 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER -31.23 -40.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 10.0 109.241 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -40.15 -58.08 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 10.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -94.65 -47.38 6.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 10.0 108.26 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.483 ' CE1' HD11 ' A' ' 37' ' ' ILE . 72.9 m-70 -78.44 -154.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 10.0 109.554 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -178.75 98.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 10.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.41 94.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.526 1.141 . . . . 10.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.0 m 68.43 104.65 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 10.0 110.358 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.466 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 18.2 Cg_endo -75.04 -163.64 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.802 . . . . 10.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 177.07 -52.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 10.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.72 -175.96 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.483 HD11 ' CE1' ' A' ' 30' ' ' HIS . 34.3 mt -153.33 145.88 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 10.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.15 95.36 10.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 10.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.404 HG12 HG22 ' A' ' 37' ' ' ILE . 15.1 mm -113.92 104.85 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 10.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.6 OUTLIER -165.77 169.03 15.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.9 65.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 10.0 109.332 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' ASP . 4.0 tttm -175.51 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 10.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.555 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -112.2 -39.25 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 10.0 110.009 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.69 -17.2 13.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 10.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -95.11 -1.43 52.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 10.0 109.615 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.457 ' C ' ' N ' ' A' ' 48' ' ' ALA . 2.5 mttt -107.0 -163.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.7 OUTLIER -42.08 -27.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -37.2 -61.65 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 10.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -101.84 -76.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.62 1.2 . . . . 10.0 108.254 -179.953 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -47.62 95.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 10.0 109.262 -179.928 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -172.6 -55.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 10.0 110.423 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.08 -55.8 4.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 10.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -50.96 -25.52 4.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 109.59 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HG2' HG21 ' A' ' 60' ' ' THR . 5.4 mtpm? -53.14 -68.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.52 56.63 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 10.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 177.67 -176.97 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 10.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -61.82 100.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 10.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.01 113.95 0.36 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.575 1.172 . . . . 10.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.419 ' O ' ' HA3' ' A' ' 64' ' ' GLY . 18.4 Cg_endo -75.01 78.32 2.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.435 1.755 . . . . 10.0 111.069 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.417 HG21 ' HG2' ' A' ' 54' ' ' LYS . 3.7 t -73.08 53.94 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 10.0 110.353 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -115.07 -32.52 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 10.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.5 t 177.0 -54.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 10.0 108.272 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.67 39.43 2.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.559 1.162 . . . . 10.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 65' ' ' CYS . . . -91.56 46.96 2.78 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.987 -0.845 . . . . 10.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 64' ' ' GLY . 1.6 p 160.24 -50.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.325 -0.991 . . . . 10.0 108.325 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -60.65 115.23 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 109.585 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mt -85.11 101.71 9.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 10.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.1 tttp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 10.0 109.29 -179.982 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 4' ' ' VAL . 2.7 t 60.19 168.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 10.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.671 HG12 ' O ' ' A' ' 4' ' ' VAL . 29.6 t -158.64 71.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 10.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.466 HG23 ' OG1' ' A' ' 14' ' ' THR . 19.5 m -40.2 147.84 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 10.0 110.409 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.44 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 0.2 OUTLIER -143.48 84.95 1.82 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.545 1.153 . . . . 10.0 110.912 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -54.07 139.76 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.393 1.058 . . . . 10.0 110.333 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.522 ' ND2' HG12 ' A' ' 13' ' ' VAL . 7.8 m-80 -135.03 -177.49 4.66 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.14 . . . . 10.0 109.368 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -100.61 -27.13 13.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 10.0 109.327 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.6 68.41 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 10.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.07 122.97 0.45 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.582 1.176 . . . . 10.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -70.32 153.27 43.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 0.773 . . . . 10.0 109.329 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 13' ' ' VAL . 2.5 p -122.09 47.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 10.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.466 ' OG1' HG23 ' A' ' 5' ' ' THR . 1.2 m -43.44 94.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 10.0 110.358 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.664 ' CZ ' HG21 ' A' ' 39' ' ' ILE . 52.0 m-85 -56.36 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 10.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.559 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 16.5 m-20 -145.81 127.73 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 10.0 109.332 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.17 -59.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 10.0 109.551 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 30.5 tttt -68.51 -52.03 36.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 10.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.31 -40.7 71.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 10.0 109.254 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 15.2 m170 -72.62 -65.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 10.0 109.536 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -39.18 -44.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 10.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.6 mm-40 -38.67 -57.0 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.132 . . . . 10.0 110.251 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -89.5 -42.17 11.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 10.0 109.224 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.838 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 7.3 mp -65.78 -109.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 109.236 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 137.24 39.35 0.13 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.482 1.114 . . . . 10.0 111.017 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 67.84 -68.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.305 -0.998 . . . . 10.0 108.305 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' GLY . 7.5 m-20 -42.69 -46.56 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 10.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.838 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -45.1 -26.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 10.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' CYS . 75.0 m -115.85 -66.18 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 10.0 108.34 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.58 ' CE1' HD11 ' A' ' 37' ' ' ILE . 20.8 m-70 -80.18 -165.59 0.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 10.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.66 88.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.25 80.66 1.22 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 10.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 m 72.68 104.83 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.426 0.721 . . . . 10.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.541 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 18.0 Cg_endo -75.04 -178.65 4.32 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.798 . . . . 10.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 172.88 161.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 10.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -56.3 108.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 10.0 109.254 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.58 HD11 ' CE1' ' A' ' 30' ' ' HIS . 13.0 mt -75.17 148.09 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 10.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.98 77.75 5.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.13 . . . . 10.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.79 HD12 ' HB2' ' A' ' 44' ' ' ALA . 24.2 mm -100.18 129.05 51.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 10.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.54 -52.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 10.0 109.319 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 178.23 92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 10.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 8.0 mttt 169.45 -39.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 10.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 1.051 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -116.25 -48.62 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.96 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.79 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -53.91 -15.74 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 10.0 109.361 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.424 ' N ' ' C ' ' A' ' 43' ' ' SER . 4.7 m170 -92.7 -43.11 9.24 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 10.0 109.651 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.502 ' O ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -149.73 168.94 22.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 10.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 45.22 35.88 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 10.0 109.325 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.051 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -168.59 -48.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 10.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 50' ' ' LYS . 60.3 m -109.23 -74.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.14 . . . . 10.0 108.267 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -38.25 -57.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.177 . . . . 10.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 m -40.89 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 10.0 110.444 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 21.3 t -84.82 105.78 15.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 10.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.466 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.3 OUTLIER 163.51 -28.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.486 1.116 . . . . 10.0 109.61 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -68.74 62.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 10.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -174.81 -42.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.963 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.03 -57.91 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 10.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.64 -155.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.611 1.194 . . . . 10.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -174.22 79.45 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.575 1.172 . . . . 10.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.547 ' HA ' ' CA ' ' A' ' 64' ' ' GLY . 18.5 Cg_endo -74.87 144.15 30.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 10.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.509 ' O ' ' O ' ' A' ' 61' ' ' LYS . 12.7 m -150.57 52.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 10.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.509 ' O ' ' O ' ' A' ' 60' ' ' THR . 0.1 OUTLIER 44.15 99.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 10.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 61' ' ' LYS . 6.7 m 82.09 -67.11 0.1 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.556 1.16 . . . . 10.0 108.33 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.48 -11.82 16.29 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.128 . . . . 10.0 110.987 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.547 ' CA ' ' HA ' ' A' ' 59' ' ' PRO . . . -72.58 -65.85 2.22 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.988 -0.845 . . . . 10.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.8 p -141.37 62.54 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 62' ' ' CYS . 3.8 m-70 -163.73 96.72 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 10.0 109.568 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.689 HG23 ' N ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -51.34 179.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 10.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.689 ' N ' HG23 ' A' ' 67' ' ' ILE . 9.5 pttp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 10.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.631 ' O ' HG12 ' A' ' 3' ' ' VAL . 1.2 t0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 89.16 147.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 10.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 4' ' ' VAL . 77.8 t -153.91 55.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 10.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.656 ' OG1' HG23 ' A' ' 14' ' ' THR . 3.0 m -42.91 159.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 10.0 110.34 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.625 ' HB2' HG13 ' A' ' 13' ' ' VAL . 13.6 m-85 -136.95 109.34 7.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 10.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -62.55 139.86 58.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 10.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -149.67 -175.67 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 10.0 109.294 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.56 -2.86 14.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 10.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 72.66 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 10.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.4 98.53 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 10.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.24 121.69 10.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 10.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.625 HG13 ' HB2' ' A' ' 6' ' ' TYR . 13.7 p -82.92 88.88 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 10.0 109.352 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.656 HG23 ' OG1' ' A' ' 5' ' ' THR . 2.3 m -75.72 84.08 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 10.0 110.347 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.531 ' HZ ' HG21 ' A' ' 39' ' ' ILE . 5.2 m-85 -50.75 -178.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 10.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.485 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 3.7 m-20 -157.29 129.41 7.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 10.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.15 -58.26 2.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 10.0 109.569 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -43.68 71.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 10.0 109.272 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.27 -29.68 68.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 10.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.485 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 2.2 m170 -79.5 -55.87 4.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 10.0 109.619 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.07 -30.94 4.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.68 -58.93 3.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -90.52 -31.63 16.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 10.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.804 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -68.04 -105.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 10.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 129.5 34.65 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 10.0 111.029 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.547 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 66.57 -73.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.328 -0.989 . . . . 10.0 108.328 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER -43.17 -26.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 10.0 109.272 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.804 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -61.83 -39.92 93.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 10.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.547 ' N ' ' O ' ' A' ' 26' ' ' CYS . 91.9 m -103.99 -52.76 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 10.0 108.339 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' CYS . 5.0 m-70 -95.05 -150.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 10.0 109.599 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -158.93 -144.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 10.0 110.279 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.452 ' N ' ' CG ' ' A' ' 31' ' ' GLU . . . -57.57 94.78 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.09 . . . . 10.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.0 m 69.95 105.33 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 10.0 110.375 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -74.96 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.499 1.789 . . . . 10.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 178.49 -57.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.378 1.049 . . . . 10.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.39 163.66 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.9 mt -122.89 156.83 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 10.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.24 96.05 6.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 10.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.833 HD12 ' HB2' ' A' ' 44' ' ' ALA . 6.0 mm -126.77 146.12 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 10.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 13.1 t0 -164.74 -63.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 10.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER 178.5 38.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 10.0 109.306 -179.928 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.2 -68.35 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 10.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.827 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 1.2 t -51.64 -52.53 47.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 10.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.833 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -55.48 -18.99 8.24 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 10.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -100.47 5.63 44.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 10.0 109.592 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 47' ' ' ASP . 5.5 mttt -119.4 -165.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 10.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 46' ' ' LYS . 4.7 m-20 -37.32 -34.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 10.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.827 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -38.11 -44.85 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.596 ' O ' ' C ' ' A' ' 50' ' ' LYS . 75.3 m -126.39 -106.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 10.0 108.32 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.596 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.2 OUTLIER 22.65 -95.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 10.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.523 ' C ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -28.96 -56.48 0.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 10.0 110.398 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.481 ' H ' HG23 ' A' ' 51' ' ' THR . 8.0 t -85.92 77.62 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 10.0 108.339 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.483 ' HB3' ' CG ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER 172.28 -36.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 10.0 109.551 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -71.98 66.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 10.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.93 -58.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 10.0 110.046 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.99 -75.06 0.64 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 10.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -43.0 -48.53 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 10.0 109.257 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 59' ' ' PRO . . . 69.85 61.62 4.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 10.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.489 ' O ' ' HB ' ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.06 -155.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 10.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 60' ' ' THR . 4.3 m 67.69 30.31 6.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 10.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.03 22.24 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 10.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.2 m 51.34 31.55 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 10.0 108.288 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -150.31 19.41 1.05 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 10.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.53 -68.61 0.95 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -68.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.24 -1.022 . . . . 10.0 108.24 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -45.71 148.14 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 10.0 109.571 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 78.4 mt -110.21 101.25 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 10.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.138 . . . . 10.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.465 ' CB ' ' HG2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 15' ' ' PHE . 4.1 p -178.19 77.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.391 1.057 . . . . 10.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.7 t -54.43 134.16 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 10.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.6 m -104.34 154.53 19.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 10.0 110.4 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 1.8 m-85 -148.55 81.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 10.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -73.4 125.45 27.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 10.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -128.89 171.33 12.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 10.0 109.352 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -62.46 -48.66 78.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 10.0 109.37 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 10.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.05 142.74 9.81 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.473 1.108 . . . . 10.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -62.34 126.25 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 10.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 13' ' ' VAL . 7.7 p -114.38 54.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 10.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.95 134.63 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 10.0 110.458 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.531 ' O ' HG23 ' A' ' 3' ' ' VAL . 6.9 m-85 -87.75 -173.69 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 10.0 110.958 -179.913 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.514 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 1.3 m-20 -146.84 121.39 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 10.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.48 -63.05 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 10.0 109.569 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HG2' ' CB ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -86.15 -20.37 28.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 10.0 109.355 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.96 -27.49 39.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 10.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.514 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -94.87 -49.54 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 10.0 109.58 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -53.02 -51.68 60.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 10.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -39.04 -29.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 10.0 110.35 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.6 tttp -105.06 -64.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 10.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' A' ' 20' ' ' HIS . 4.9 mp -57.65 -92.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' CYS . . . 123.59 66.67 0.21 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 10.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER 39.61 -146.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.244 -1.021 . . . . 10.0 108.244 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 26' ' ' CYS . 66.0 m-20 35.24 31.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 10.0 109.374 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -117.81 -61.35 1.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 10.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.96 5.16 18.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 10.0 108.316 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -117.21 177.27 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 10.0 109.634 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -178.85 121.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.98 92.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.541 1.151 . . . . 10.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.9 m 71.29 105.19 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.444 0.732 . . . . 10.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 126.68 10.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 10.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.45 -177.48 4.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 10.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.515 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -71.95 108.18 5.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 10.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.538 HG22 ' N ' ' A' ' 38' ' ' ALA . 38.8 mt -64.82 167.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 10.0 109.239 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.538 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -94.28 90.36 6.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 10.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.539 HG23 ' HB2' ' A' ' 44' ' ' ALA . 6.6 mm -119.7 140.96 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 10.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 10.7 t70 -165.22 -67.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 10.0 109.337 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER 177.52 82.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 10.0 109.327 179.923 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm 173.14 -58.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 109.284 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -81.57 -36.73 28.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 10.0 109.972 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.928 ' HA ' ' HB3' ' A' ' 48' ' ' ALA . . . -65.15 -6.09 8.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 10.0 109.24 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -98.2 -4.06 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 10.0 109.569 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -169.4 -65.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.401 1.063 . . . . 10.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 27.7 m-20 -70.98 55.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 10.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.928 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . 173.11 -76.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 10.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.568 ' O ' ' N ' ' A' ' 51' ' ' THR . 60.0 m -88.64 -129.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 10.0 108.313 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.559 ' O ' ' C ' ' A' ' 51' ' ' THR . 5.0 mmtp 28.78 -93.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 10.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.568 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -25.49 -50.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 10.0 110.363 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.476 ' N ' ' CG2' ' A' ' 51' ' ' THR . 9.0 t -96.23 85.01 3.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 10.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 175.23 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.614 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -66.66 72.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 10.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -157.03 -51.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 10.0 109.972 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -105.25 -60.52 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 10.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -86.49 -172.13 3.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 10.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -145.69 64.65 0.44 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 10.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.17 4.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 10.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 m -85.17 -49.78 7.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.087 . . . . 10.0 110.457 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -76.91 -156.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 10.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -107.4 43.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 10.0 108.278 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -126.65 -42.24 0.29 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.528 1.143 . . . . 10.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.13 -83.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.994 -0.842 . . . . 10.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -72.84 -64.95 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.325 -0.991 . . . . 10.0 108.325 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -64.88 103.56 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 10.0 109.605 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 67' ' ' ILE . 19.7 mm -88.46 79.35 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 10.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 10.0 109.275 -179.995 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.453 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 3' ' ' VAL . 17.8 t 66.4 81.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 14' ' ' THR . 10.0 t -105.8 164.54 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 10.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.603 HG23 ' OG1' ' A' ' 14' ' ' THR . 89.7 m -131.2 91.48 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 10.0 110.362 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.546 ' CD2' ' CZ ' ' A' ' 15' ' ' PHE . 4.2 m-30 -81.26 124.9 29.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 10.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -113.82 110.88 20.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 10.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -113.75 159.36 19.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 10.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -40.31 -50.48 2.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 10.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -79.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 10.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.38 -100.47 0.22 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 10.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -172.69 137.3 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 10.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.474 HG23 ' HB3' ' A' ' 65' ' ' CYS . 10.8 p -120.92 62.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.749 HG23 ' O ' ' A' ' 4' ' ' VAL . 4.2 m -55.4 130.58 43.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 10.0 110.426 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.546 ' CZ ' ' CD2' ' A' ' 6' ' ' TYR . 8.8 m-85 -88.39 -173.57 4.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 10.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.593 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 1.2 m-20 -150.2 117.66 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 10.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.453 ' HB3' ' N ' ' A' ' 2' ' ' ASP . 9.3 t-80 -124.08 -65.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 109.6 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -21.77 64.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 10.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.79 -32.92 13.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 10.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.593 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -77.24 -35.34 55.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 10.0 109.583 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -15.1 11.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 10.0 109.329 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -79.55 -49.65 11.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 10.0 110.372 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -87.76 -53.74 4.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 10.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.669 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 6.6 mp -58.73 -114.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 10.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 145.87 38.01 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 10.0 110.961 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.547 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 65.48 -69.7 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.343 -0.984 . . . . 10.0 108.343 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 25' ' ' GLY . 2.4 m-20 -39.17 -28.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 10.0 109.251 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.669 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -62.61 -48.11 80.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 10.0 109.352 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.547 ' N ' ' O ' ' A' ' 26' ' ' CYS . 20.4 m -93.42 -50.72 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 10.0 108.254 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 26' ' ' CYS . 5.1 m-70 -95.26 179.34 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 10.0 109.644 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.14 94.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 10.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.72 82.83 1.02 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 10.0 111.042 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.0 m 71.43 103.38 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 10.0 110.451 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 159.89 40.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.43 1.753 . . . . 10.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' LYS . . . -173.38 157.75 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.45 ' N ' ' HE3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.2 143.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 10.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.5 mt -119.01 146.28 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 10.0 109.332 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.43 91.03 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 10.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.42 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 3.7 mm -97.75 137.79 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 10.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER 162.01 165.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 10.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' ASP . 19.2 ttpt -42.37 163.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 10.0 109.322 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER 79.87 -70.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 10.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 46' ' ' LYS . 26.3 m -67.78 -67.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 10.0 109.934 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.885 ' HA ' ' HB3' ' A' ' 48' ' ' ALA . . . -55.15 -15.99 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 10.0 109.251 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.406 ' N ' ' C ' ' A' ' 43' ' ' SER . 1.6 m-70 -106.61 13.79 27.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 10.0 109.598 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 42' ' ' LYS . 26.2 tttm -131.41 -92.98 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 10.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.408 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 1.3 m-20 -122.89 65.97 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 10.0 109.206 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.885 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -146.19 -45.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 10.0 109.216 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -113.35 -69.34 0.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 10.0 108.306 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' CYS . 49.1 mttt -39.97 -57.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 10.0 109.252 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.499 HG23 ' N ' ' A' ' 52' ' ' CYS . 2.2 t -38.03 -56.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 10.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 51.4 t -95.33 104.03 15.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.617 1.198 . . . . 10.0 108.295 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER 161.49 -47.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 10.0 109.572 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -46.5 -30.83 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 10.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.49 64.9 4.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 10.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 57' ' ' ASN . 9.2 t30 167.39 -87.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 10.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.433 ' HB2' ' ND2' ' A' ' 56' ' ' ASN . 1.8 t-20 -110.0 -42.86 4.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 10.0 109.339 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.448 ' N ' ' HD3' ' A' ' 59' ' ' PRO . . . 61.72 61.82 6.38 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 10.0 111.014 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 58' ' ' GLY . 18.2 Cg_endo -75.0 54.91 3.78 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.804 . . . . 10.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 t -101.27 53.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 10.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 63' ' ' GLY . 1.2 pttt -141.89 32.91 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 10.0 109.206 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 66' ' ' HIS . 1.1 m 68.54 -70.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 10.0 108.32 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -51.96 -20.21 6.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.555 1.16 . . . . 10.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.417 ' HA3' ' CB ' ' A' ' 59' ' ' PRO . . . -65.96 -64.04 3.64 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.474 ' HB3' HG23 ' A' ' 13' ' ' VAL . 39.8 m -91.25 -54.94 3.72 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.307 -0.997 . . . . 10.0 108.307 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 62' ' ' CYS . 55.6 m-70 -86.97 100.51 12.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 10.0 109.613 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.4 mt -78.21 69.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 10.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 10.0 109.263 179.949 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.51 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.51 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 13.2 t 69.51 97.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.502 1.126 . . . . 10.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.596 HG11 ' CE2' ' A' ' 6' ' ' TYR . 2.9 t -111.17 156.11 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 10.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.6 m -142.09 78.71 1.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 10.0 110.39 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.596 ' CE2' HG11 ' A' ' 4' ' ' VAL . 31.6 m-85 -71.49 153.22 42.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 10.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -128.31 106.05 8.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 10.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 10' ' ' LYS . 3.2 p30 -111.77 -175.01 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -93.21 32.01 1.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 10.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 66' ' ' HIS . 0.4 OUTLIER -164.02 60.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 10.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.29 173.06 49.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 10.0 111.04 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -131.21 126.55 35.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 10.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 13' ' ' VAL . 10.7 p -90.49 118.76 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 10.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.5 m -98.18 73.44 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 10.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.685 ' CZ ' HG21 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -42.49 161.37 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 10.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.58 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.3 OUTLIER -146.06 103.39 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -114.49 -49.09 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 10.0 109.623 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.63 -25.0 58.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 10.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.93 -39.68 15.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 10.0 109.267 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.58 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 1.5 m-70 -71.26 -47.06 59.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 10.0 109.548 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.32 -24.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 10.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 20' ' ' HIS . 1.9 mt-10 -71.24 -51.72 23.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 10.0 110.36 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -56.39 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.6 1.187 . . . . 10.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.042 HD23 ' CB ' ' A' ' 28' ' ' ALA . 6.4 mp -53.64 -101.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 10.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.12 40.85 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.437 1.086 . . . . 10.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 28' ' ' ALA . 1.6 m 72.08 -57.68 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.303 -0.999 . . . . 10.0 108.303 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.26 62.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.221 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 1.042 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -138.65 -55.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 10.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.47 -11.23 13.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 10.0 108.363 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.433 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 92.0 m-70 -104.23 -178.2 3.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 10.0 109.588 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 32' ' ' GLY . 14.5 tt0 -149.91 99.38 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 10.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . 46.9 99.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 10.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.4 m 67.66 104.88 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.568 0.805 . . . . 10.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.433 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 18.2 Cg_endo -75.0 178.39 7.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 10.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -166.94 -51.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 10.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -176.42 177.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 10.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.484 HG22 HG12 ' A' ' 39' ' ' ILE . 40.8 mt -151.92 150.54 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 10.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -101.34 106.07 17.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 10.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.685 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 19.9 mm -116.82 130.76 71.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 10.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 42' ' ' LYS . 2.8 p30 179.64 163.9 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 10.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -65.85 71.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 10.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 40' ' ' ASP . 6.5 tttt -178.37 -43.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 10.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.705 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -106.52 -36.49 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 10.0 109.989 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.415 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -58.63 -16.09 14.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 10.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -97.56 -3.37 39.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.087 . . . . 10.0 109.568 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -105.04 -160.99 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 10.0 109.244 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' ALA . 16.7 p-10 -46.8 -26.97 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 10.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -37.96 -54.9 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 10.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 51' ' ' THR . 1.7 m -116.72 -73.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 10.0 108.271 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' CYS . 14.3 mmmt -38.46 99.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 10.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.705 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 176.96 -77.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.427 1.079 . . . . 10.0 110.378 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.705 ' N ' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -62.05 -52.83 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 10.0 108.259 -179.929 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -43.57 -44.42 6.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.638 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -69.88 79.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 10.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.39 -36.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.979 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -109.19 -75.77 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.608 1.193 . . . . 10.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -73.81 -177.04 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 10.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -135.14 69.07 0.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.573 1.17 . . . . 10.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.527 ' CB ' ' HA3' ' A' ' 64' ' ' GLY . 18.0 Cg_endo -75.08 -43.88 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.778 . . . . 10.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.585 ' O ' ' O ' ' A' ' 61' ' ' LYS . 9.9 t 38.26 36.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 10.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.585 ' O ' ' O ' ' A' ' 60' ' ' THR . 6.3 pttt 51.36 160.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 10.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 61' ' ' LYS . 10.6 m 39.99 89.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 10.0 108.284 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.59 -18.6 8.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 10.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.527 ' HA3' ' CB ' ' A' ' 59' ' ' PRO . . . -91.06 -78.92 1.38 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 m -76.53 -59.64 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 10' ' ' LYS . 91.7 m-70 -74.15 90.65 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 10.0 109.529 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.4 mt -88.57 94.07 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 10.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 10.0 109.285 -179.99 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.518 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 2.9 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.314 -0.625 . . . . 10.0 109.314 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.794 HG12 ' O ' ' A' ' 3' ' ' VAL . 3.5 t 68.48 72.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 10.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.673 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 11.8 t -98.64 147.59 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 10.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.411 ' HA ' ' OG1' ' A' ' 14' ' ' THR . 55.1 m -121.52 111.43 17.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 10.0 110.376 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.673 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 8.8 m-30 -112.2 101.86 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 10.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -95.05 70.57 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 10.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 3.0 p30 -74.96 -176.07 2.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 10.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.72 -57.37 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 10.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -43.6 -81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 10.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -152.92 120.35 1.05 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.471 1.107 . . . . 10.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -53.29 138.9 31.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 10.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.7 p -137.01 72.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 10.0 109.354 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 4' ' ' VAL . 1.6 m -70.84 101.71 2.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 10.0 110.349 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.411 ' CE2' ' CE2' ' A' ' 6' ' ' TYR . 2.9 m-85 -60.39 160.03 9.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 10.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.616 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -129.92 116.49 18.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 10.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.518 ' HB3' ' N ' ' A' ' 2' ' ' ASP . 7.9 t-80 -121.63 -64.89 1.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 10.0 109.583 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.76 -27.05 67.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 10.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.72 -35.64 24.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 10.0 109.276 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.616 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -76.02 -52.41 10.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 10.0 109.556 -179.944 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.02 -25.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 20' ' ' HIS . 3.6 mm-40 -40.87 -51.46 3.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 10.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -124.11 -48.54 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 10.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.651 HD22 ' HB1' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -40.22 -86.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 10.0 109.278 179.945 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.8 -171.69 22.27 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.528 1.142 . . . . 10.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.453 ' C ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -89.83 -60.2 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.009 . . . . 10.0 108.277 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 30' ' ' HIS . 1.5 m-20 -41.79 -26.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 10.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.651 ' HB1' HD22 ' A' ' 24' ' ' LEU . . . -41.85 -47.09 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 10.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.566 ' HB2' HD11 ' A' ' 37' ' ' ILE . 1.7 m -107.8 -56.79 2.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 10.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.508 ' CD2' ' HB3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -79.58 -172.78 3.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 10.0 109.583 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -178.85 91.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 10.0 110.269 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.97 71.59 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 10.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.1 m 64.24 106.34 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 10.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.508 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -74.98 -177.55 3.54 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 10.0 111.054 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -178.27 -39.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 10.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER 178.99 156.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 10.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 29' ' ' CYS . 36.9 mt -122.54 -1.57 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 39.66 90.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 10.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.446 HG23 ' HB2' ' A' ' 44' ' ' ALA . 10.8 mm -102.3 115.38 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 10.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 42' ' ' LYS . 4.0 t70 -163.43 165.91 23.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 10.0 109.238 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 10.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -178.63 -38.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 10.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -113.29 -44.43 3.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 10.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.519 ' HA ' ' HB3' ' A' ' 48' ' ' ALA . . . -54.01 -20.63 6.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 10.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -89.37 7.71 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 10.0 109.691 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -119.39 -159.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 109.237 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 48' ' ' ALA . 2.3 m-20 -40.08 -31.91 0.15 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.422 1.076 . . . . 10.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -36.24 -57.66 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 10.0 109.346 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -110.0 -74.51 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 10.0 108.28 179.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.32 101.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.726 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.8 OUTLIER -176.32 -77.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 10.0 110.373 -179.928 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.726 ' N ' HG22 ' A' ' 51' ' ' THR . 0.5 OUTLIER -77.5 -44.48 28.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 10.0 108.319 179.944 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.437 ' CG ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -53.15 -52.55 58.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 10.0 109.586 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -80.23 65.34 5.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 10.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -153.06 -51.42 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 10.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -93.91 -78.07 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 10.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -154.74 116.16 4.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 10.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.57 -140.41 6.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.104 . . . . 10.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 18.4 Cg_endo -74.92 171.7 17.79 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.483 1.781 . . . . 10.0 110.951 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.544 HG23 ' HG2' ' A' ' 61' ' ' LYS . 2.3 t -178.2 -47.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 10.0 110.366 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.544 ' HG2' HG23 ' A' ' 60' ' ' THR . 0.0 OUTLIER -101.17 -109.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 10.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 64' ' ' GLY . 0.5 OUTLIER -112.53 -65.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 10.0 108.211 -179.916 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.74 69.16 0.29 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.512 1.133 . . . . 10.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -127.87 -84.6 0.46 Allowed Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.434 ' N ' ' HB3' ' A' ' 59' ' ' PRO . 3.0 p -79.51 -43.76 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -68.31 103.96 1.73 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 10.0 109.574 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.4 mt -79.37 77.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 10.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 10.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.763 ' C ' HG13 ' A' ' 3' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.309 -0.626 . . . . 10.0 109.309 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.763 HG13 ' C ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 72.78 145.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 10.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.32 150.79 34.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 10.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m -114.86 121.38 43.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 10.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -110.49 150.42 28.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 10.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -118.08 127.8 54.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 10.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.429 ' ND2' HG12 ' A' ' 13' ' ' VAL . 74.7 m-80 -130.64 179.85 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 10.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.3 23.74 7.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 -79.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 10.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 12' ' ' ASN . . . -161.47 37.18 0.4 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.531 1.145 . . . . 10.0 110.958 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 11' ' ' GLY . 43.0 m-20 47.36 -173.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 0.784 . . . . 10.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 13' ' ' VAL . 1.5 p -169.17 62.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 10.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 m -52.89 136.19 34.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 10.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.628 ' HE2' HG21 ' A' ' 39' ' ' ILE . 85.1 m-85 -99.23 -173.01 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 10.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.811 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -151.07 115.46 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 10.0 109.268 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -46.48 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 10.0 109.632 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 6.3 tttt -88.29 -36.09 16.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 10.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.811 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -65.5 -35.01 79.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 10.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.589 ' CE1' ' OD1' ' A' ' 16' ' ' ASP . 10.3 m170 -79.3 -63.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 109.621 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -38.62 -31.28 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 10.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.6 mm-40 -52.23 -55.66 19.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.389 1.056 . . . . 10.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.1 -40.9 11.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 10.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.569 HD23 ' CB ' ' A' ' 28' ' ' ALA . 6.0 mp -68.83 -119.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 10.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 154.86 41.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.148 . . . . 10.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER 65.03 -74.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.317 -0.994 . . . . 10.0 108.317 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 25' ' ' GLY . 1.9 t70 -32.14 -38.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 10.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.569 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -41.54 -51.92 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 10.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 26' ' ' CYS . 0.8 OUTLIER -106.07 -46.55 4.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 10.0 108.358 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.57 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 22.1 m-70 -94.93 -150.52 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 10.0 109.621 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -173.1 -150.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 10.0 110.298 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.01 -25.28 0.95 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 10.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.4 m -151.05 106.86 3.01 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 10.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.742 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 18.5 Cg_endo -74.9 -84.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.469 1.773 . . . . 10.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 34' ' ' PRO . . . 90.6 -69.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 10.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -177.25 175.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 10.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.454 HD11 ' CE1' ' A' ' 30' ' ' HIS . 62.9 mt -140.48 162.12 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.43 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -110.72 93.4 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 10.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.783 HG23 ' HB2' ' A' ' 44' ' ' ALA . 28.8 mm -106.62 95.89 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 10.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 172.44 152.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt 70.24 -144.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 10.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -84.29 50.45 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 10.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.494 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -130.35 -62.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.39 1.056 . . . . 10.0 110.085 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.783 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -57.54 -17.82 15.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.112 . . . . 10.0 109.414 179.9 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -96.43 -2.36 45.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 109.586 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 48' ' ' ALA . 2.6 tttt -102.61 -158.49 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 48' ' ' ALA . 19.2 m-20 -42.87 -29.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 10.0 109.364 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -38.87 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 84.5 m -92.43 -61.76 1.54 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 10.0 108.345 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 51' ' ' THR . 0.3 OUTLIER -58.35 102.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 10.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.458 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER 168.84 -65.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 10.0 110.385 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.442 ' N ' HG22 ' A' ' 51' ' ' THR . 18.7 t -100.16 72.64 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.12 . . . . 10.0 108.342 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 0.3 OUTLIER -159.02 -44.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 10.0 109.624 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.83 62.76 5.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 10.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -132.06 -54.75 0.98 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.559 1.162 . . . . 10.0 110.054 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -112.53 -60.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 10.0 109.232 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -149.74 97.37 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 10.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.13 121.8 1.78 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.413 1.071 . . . . 10.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.476 ' HG2' ' CA ' ' A' ' 64' ' ' GLY . 18.2 Cg_endo -75.03 82.06 2.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.782 . . . . 10.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.6 t -89.12 24.7 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 10.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -106.97 57.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 10.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.3 t 64.43 135.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 10.0 108.269 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . 75.13 -101.73 1.38 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 10.0 110.985 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.476 ' CA ' ' HG2' ' A' ' 59' ' ' PRO . . . 68.13 -54.95 0.42 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.036 -0.826 . . . . 10.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.8 OUTLIER -97.16 -21.26 17.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.245 -1.02 . . . . 10.0 108.245 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -77.5 87.65 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 10.0 109.641 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.445 ' O ' ' CG2' ' A' ' 67' ' ' ILE . 3.8 tt -48.71 114.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 10.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 10.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.45 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 46.6 m-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 15' ' ' PHE . 73.2 t -129.53 137.93 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 10.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.59 HG23 ' HB2' ' A' ' 15' ' ' PHE . 1.4 m -120.75 162.72 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 10.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 5' ' ' THR . 10.0 t -154.25 112.57 3.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 110.445 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.463 ' HB2' HG12 ' A' ' 13' ' ' VAL . 22.9 m-30 -94.82 143.85 26.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 10.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.51 120.91 20.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 10.0 110.293 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.459 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 23.0 m-20 -111.84 -11.25 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 10.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 8' ' ' ASN . 3.1 tptm 85.05 -49.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 10.0 109.233 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.48 67.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 10.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.488 ' O ' ' CE1' ' A' ' 66' ' ' HIS . . . 100.24 93.42 2.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 10.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -69.61 133.17 47.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 10.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.693 HG13 ' O ' ' A' ' 13' ' ' VAL . 9.8 p -73.98 95.67 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.59 ' O ' HG22 ' A' ' 14' ' ' THR . 5.6 m -73.0 60.3 0.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.148 . . . . 10.0 110.4 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.705 ' O ' HG13 ' A' ' 3' ' ' VAL . 4.8 m-85 -47.38 173.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 10.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.591 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 18.1 m-20 -148.26 127.75 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 10.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -103.0 -47.85 4.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 10.0 109.618 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -90.18 -40.94 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -60.84 -31.55 70.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 10.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.438 ' ND1' ' HB2' ' A' ' 16' ' ' ASP . 8.8 m170 -84.25 -64.53 1.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 10.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -39.35 -54.14 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 10.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -37.22 -31.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 10.0 110.29 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.2 mmtt -103.33 -47.84 4.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 10.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.61 ' N ' HD12 ' A' ' 24' ' ' LEU . 3.7 mp -75.71 -115.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 10.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 159.34 37.74 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.463 1.102 . . . . 10.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.615 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER 70.68 -54.48 0.65 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.282 -1.007 . . . . 10.0 108.282 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 25' ' ' GLY . 62.1 m-20 -60.94 68.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 10.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.615 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -140.17 -59.37 0.54 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.566 1.166 . . . . 10.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.11 -8.83 13.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 10.0 108.403 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -102.19 -171.77 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.614 1.196 . . . . 10.0 109.583 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 170.96 101.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 10.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.17 91.66 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 10.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 m 68.3 105.44 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 10.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 148.88 36.0 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 10.0 111.047 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.85 175.01 14.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -67.65 107.05 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.601 1.188 . . . . 10.0 109.291 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 38' ' ' ALA . 28.5 mt -73.18 164.96 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 10.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.494 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -100.04 90.53 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 10.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.895 HG23 ' HB2' ' A' ' 44' ' ' ALA . 39.1 mm -96.77 137.29 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 10.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 175.45 -75.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 10.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -133.21 142.46 48.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 10.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.07 -57.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.725 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 2.6 m -91.81 52.86 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 10.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.895 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -179.34 -36.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 10.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -103.97 2.7 32.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 10.0 109.606 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -123.05 -153.08 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 10.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -39.89 -38.46 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 10.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.725 ' HB2' ' HA ' ' A' ' 43' ' ' SER . . . -38.4 -48.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' THR . 61.9 m -113.07 -71.44 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 10.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.13 88.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 10.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' CYS . 7.0 t -173.27 -42.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.0 t -99.71 -40.35 7.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 10.0 108.314 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.415 ' C ' ' N ' ' A' ' 55' ' ' SER . 5.4 m170 -58.16 -24.35 58.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 10.0 109.575 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -46.76 -25.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 10.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 53' ' ' HIS . 8.4 t -105.72 -56.06 2.24 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.129 . . . . 10.0 110.059 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -86.72 133.88 33.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 10.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.2 t-20 77.22 176.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 10.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.77 84.73 0.37 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.504 1.127 . . . . 10.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.524 ' O ' ' CB ' ' A' ' 60' ' ' THR . 18.1 Cg_endo -75.1 -160.53 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 10.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.524 ' CB ' ' O ' ' A' ' 59' ' ' PRO . 2.3 m 84.47 -49.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 10.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.27 173.21 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 10.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 m -72.92 60.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 10.0 108.261 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . -146.09 -40.73 0.05 OUTLIER Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.542 1.151 . . . . 10.0 111.056 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 63' ' ' GLY . . . -32.13 -38.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.067 -0.813 . . . . 10.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.8 OUTLIER -141.75 -61.56 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.317 -0.994 . . . . 10.0 108.317 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.488 ' CE1' ' O ' ' A' ' 11' ' ' GLY . 40.7 m-70 -51.4 149.38 4.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 10.0 109.593 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.8 mt -121.83 75.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 10.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 10.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 3' ' ' VAL . 1.5 t 57.05 103.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 10.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.55 HG11 ' CE1' ' A' ' 6' ' ' TYR . 2.3 t -114.42 151.4 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 10.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -125.05 99.0 5.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 10.0 110.427 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.55 ' CE1' HG11 ' A' ' 4' ' ' VAL . 4.3 m-30 -86.0 127.75 34.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 10.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -113.44 97.22 6.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 10.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.72 156.46 17.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 10.0 109.341 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -49.15 -54.16 17.63 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.486 1.116 . . . . 10.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.67 -64.65 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 10.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.98 -135.75 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.105 . . . . 10.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -139.62 139.07 36.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 10.0 109.218 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.936 HG23 ' HB2' ' A' ' 65' ' ' CYS . 3.4 p -109.54 -17.17 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 10.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.683 HG22 ' H ' ' A' ' 15' ' ' PHE . 7.0 m 46.43 -174.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 10.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.777 ' CZ ' HG21 ' A' ' 39' ' ' ILE . 26.4 m-85 -164.49 144.25 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 10.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.568 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 5.2 m-20 -129.36 117.34 20.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 10.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -122.34 -65.46 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 10.0 109.589 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 3.9 tttt -65.18 -39.56 93.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.552 1.158 . . . . 10.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.5 -40.29 70.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.568 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -68.29 -53.43 24.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 10.0 109.566 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.94 -39.43 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 10.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 2.2 mt-10 -53.3 -47.65 69.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 10.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -85.22 -52.81 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 10.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.748 HD23 ' CB ' ' A' ' 28' ' ' ALA . 6.7 mp -63.27 -118.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 10.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 158.68 36.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 10.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 67.41 -66.04 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.317 -0.994 . . . . 10.0 108.317 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 25' ' ' GLY . 3.0 p30 -39.97 -29.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 10.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.748 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -61.59 -43.95 97.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 10.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.577 ' N ' ' O ' ' A' ' 26' ' ' CYS . 72.2 m -98.21 -52.57 3.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 10.0 108.29 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 26' ' ' CYS . 8.4 m-70 -97.41 -169.9 1.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 10.0 109.632 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 177.63 104.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 10.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.82 -62.65 0.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 m -162.93 114.7 1.08 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 10.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.82 25.87 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.573 1.828 . . . . 10.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -145.19 -48.85 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 10.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.478 ' CD ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -178.95 149.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 10.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.437 ' O ' ' O ' ' A' ' 38' ' ' ALA . 49.4 mt -113.0 -13.74 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 10.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.478 ' HB2' ' CD ' ' A' ' 36' ' ' LYS . . . 48.99 98.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 10.0 109.295 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.777 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 19.1 mm -105.29 126.63 60.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' LYS . 14.2 t0 -178.4 158.96 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 10.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 4.8 ttpt -39.46 140.0 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 10.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER 90.58 -58.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 10.0 109.275 179.961 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -72.39 -67.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 10.0 110.03 179.965 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.777 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -51.66 -21.63 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 10.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -86.34 6.4 30.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 10.0 109.579 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 43' ' ' SER . 19.4 mttt -125.53 -164.48 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 10.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' ALA . 16.0 m-20 -39.26 -33.86 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 10.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -37.45 -83.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.324 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.4 t -95.91 -59.47 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 10.0 108.303 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 2.9 tptm -60.92 98.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 109.231 -179.916 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 52' ' ' CYS . 15.0 t -176.02 -51.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 110.364 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.448 ' N ' HG23 ' A' ' 51' ' ' THR . 1.8 t -76.56 176.26 8.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 108.298 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.418 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 13.5 m80 82.23 -49.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 10.0 109.589 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.513 ' HB3' HG21 ' A' ' 60' ' ' THR . 0.0 OUTLIER -84.24 64.05 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 10.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.3 t -171.22 -46.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 10.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -101.98 -57.72 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 10.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -178.69 117.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 10.0 109.36 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 151.41 157.4 7.86 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 10.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.409 ' CB ' ' HA2' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -74.92 177.69 8.22 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.551 1.817 . . . . 10.0 111.077 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.513 HG21 ' HB3' ' A' ' 54' ' ' LYS . 4.1 t -175.39 -36.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.485 1.115 . . . . 10.0 110.388 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 60' ' ' THR . 2.4 ptpt -36.91 -46.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 10.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -162.74 -51.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 108.299 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.57 42.2 3.13 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.534 1.146 . . . . 10.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.409 ' HA2' ' CB ' ' A' ' 59' ' ' PRO . . . -77.33 -34.62 40.15 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.902 -0.879 . . . . 10.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.936 ' HB2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -130.92 -51.36 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 -179.91 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -53.88 117.77 3.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 10.0 109.518 -179.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' A' ' 67' ' ' ILE . 12.7 mm -109.7 120.64 61.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 10.0 109.242 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' ILE . 1.5 ttmp? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 10.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.471 ' O ' HG23 ' A' ' 3' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 2' ' ' ASP . 2.3 t -153.81 105.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 10.0 109.333 -179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 4' ' ' VAL . 2.6 t -82.45 90.66 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 10.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -77.06 124.88 28.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 10.0 110.444 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.584 ' HB2' HG13 ' A' ' 13' ' ' VAL . 1.1 m-85 -113.88 123.89 50.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 10.0 110.959 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -87.8 128.83 35.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -141.19 174.14 10.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 12.83 25.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 10.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.9 72.09 1.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.425 1.078 . . . . 10.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.17 -127.12 7.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 10.0 111.045 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.24 120.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 10.0 109.39 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.584 HG13 ' HB2' ' A' ' 6' ' ' TYR . 2.6 p -95.49 85.18 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 10.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 14' ' ' THR . 14.9 t -76.26 72.3 3.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 10.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 14' ' ' THR . 1.9 t80 -47.24 176.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.374 1.046 . . . . 10.0 111.058 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.98 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -144.21 124.75 14.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 10.0 109.232 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.27 -59.22 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 10.0 109.627 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -81.24 -40.7 23.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 10.0 109.256 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.98 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -57.0 -38.91 73.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 10.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.569 ' CE1' ' OD2' ' A' ' 16' ' ' ASP . 5.2 m170 -73.98 -65.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 109.534 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.483 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -34.39 -40.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 10.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.2 mm-40 -39.05 -45.77 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 10.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' HIS . 12.2 mmtt -97.64 -43.16 7.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.088 . . . . 10.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.629 ' N ' HD12 ' A' ' 24' ' ' LEU . 3.1 mp -73.3 -109.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 10.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.97 41.1 0.06 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 10.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER 70.9 -55.79 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.323 -0.991 . . . . 10.0 108.323 179.98 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.5 68.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 10.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.611 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -141.02 -55.26 0.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 10.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.91 -13.22 13.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 10.0 108.28 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.479 ' CE1' HD11 ' A' ' 37' ' ' ILE . 49.1 m-70 -103.71 -179.26 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 10.0 109.526 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -179.2 104.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 10.0 110.363 -179.96 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.44 88.87 0.1 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 10.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m 70.49 104.44 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.738 . . . . 10.0 110.421 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 136.13 20.18 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 10.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -151.65 157.92 42.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 10.0 109.276 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.443 ' CE ' ' O ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -43.48 137.43 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.36 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.479 HD11 ' CE1' ' A' ' 30' ' ' HIS . 41.1 mt -111.69 161.85 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 10.0 109.281 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.425 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -93.33 87.12 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 10.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.992 HG23 ' HB2' ' A' ' 44' ' ' ALA . 4.5 mm -118.31 117.58 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 10.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -143.24 -73.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 10.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.39 72.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 10.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.76 -45.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 10.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.857 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -101.48 -38.67 7.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 10.0 109.999 -179.963 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.992 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -56.35 -17.52 8.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 10.0 109.266 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -102.71 4.73 38.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 10.0 109.619 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.32 -154.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 10.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 48' ' ' ALA . 3.5 p-10 -47.14 -36.06 7.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 10.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.857 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -35.86 -47.06 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 10.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.555 ' O ' ' C ' ' A' ' 50' ' ' LYS . 57.5 m -121.4 -110.85 0.33 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 1.165 . . . . 10.0 108.255 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER 27.35 -124.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 10.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 50' ' ' LYS . 44.7 m 33.41 -99.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' HIS . 1.9 t -41.2 -70.14 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 10.0 108.316 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -38.15 -37.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 10.0 109.584 179.964 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' THR . 2.3 mtpt -85.2 51.74 2.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 10.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -149.67 -68.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 10.0 110.021 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -76.79 -68.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -89.56 175.24 7.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 10.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -128.69 76.07 0.41 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.456 1.097 . . . . 10.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.481 ' O ' ' C ' ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.08 3.83 5.31 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 10.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 59' ' ' PRO . 68.4 m -32.36 -66.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 10.0 110.451 179.914 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 139.98 58.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 10.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.407 ' C ' ' N ' ' A' ' 64' ' ' GLY . 77.2 m -44.47 -51.63 8.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 10.0 108.282 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -42.04 -27.59 0.41 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.455 1.097 . . . . 10.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 59' ' ' PRO . . . -52.68 -85.08 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.852 . . . . 10.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.7 m -68.18 -59.81 2.94 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.368 -0.975 . . . . 10.0 108.368 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -70.71 101.69 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 10.0 109.587 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.7 mm -72.71 76.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.406 1.066 . . . . 10.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 10.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 4' ' ' VAL . 2.4 t -143.47 163.14 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 10.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.509 ' CG1' ' CE2' ' A' ' 6' ' ' TYR . 9.9 t -133.93 104.17 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.579 1.174 . . . . 10.0 109.281 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.6 m -122.59 116.39 23.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 10.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.52 ' HB2' HG12 ' A' ' 13' ' ' VAL . 37.7 m-85 -113.53 133.12 55.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.03 118.81 18.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 10.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -104.59 -175.8 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 10.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -69.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.95 57.78 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 10.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 139.45 -155.65 24.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 10.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -177.66 114.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.774 . . . . 10.0 109.305 179.931 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.579 HG22 ' H ' ' A' ' 15' ' ' PHE . 10.9 p -52.5 146.48 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 10.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 15' ' ' PHE . 33.5 m -119.48 26.79 9.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 10.0 110.426 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.579 ' H ' HG22 ' A' ' 13' ' ' VAL . 3.1 t80 -40.96 164.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 10.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.585 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -137.22 163.29 31.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 10.0 109.297 179.955 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.47 -49.44 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 10.0 109.611 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -41.06 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 10.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -59.44 -32.36 70.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 10.0 109.325 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.47 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -82.95 -61.79 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 10.0 109.675 179.955 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.12 -27.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 10.0 109.235 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 20' ' ' HIS . 1.5 mm-40 -42.32 -48.7 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 10.0 110.235 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -103.06 -28.86 11.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 10.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 20' ' ' HIS . 4.8 mp -88.43 -113.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 10.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.47 175.91 28.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 10.0 110.974 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.3 4.03 28.89 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.251 -1.018 . . . . 10.0 108.251 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.96 11.46 25.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 10.0 109.245 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.99 -57.75 2.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 10.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.523 ' CB ' ' CD1' ' A' ' 37' ' ' ILE . 3.6 m -90.99 -31.42 16.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 10.0 108.343 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -101.78 -164.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 10.0 109.591 179.982 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 179.76 85.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 10.0 110.259 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.39 91.74 0.68 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.591 1.182 . . . . 10.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.1 m 63.49 104.99 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 10.0 110.429 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.575 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 18.1 Cg_endo -75.01 -166.68 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 10.0 110.957 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 175.7 -52.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER 178.96 160.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 10.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.523 ' CD1' ' CB ' ' A' ' 29' ' ' CYS . 2.6 mt -127.7 1.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 10.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 43.2 93.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 10.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.87 HG23 ' HB2' ' A' ' 44' ' ' ALA . 8.2 mm -104.7 128.51 58.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 10.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 42' ' ' LYS . 4.0 m-20 -152.78 163.13 40.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 10.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 58.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -151.09 -49.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 10.0 109.311 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.751 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -107.97 -36.35 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 10.0 109.96 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.87 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -57.03 -18.3 13.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 10.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -101.19 3.57 41.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 10.0 109.583 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 1.3 tttp -111.16 -161.55 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 10.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 45.3 t0 -42.82 -27.91 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 10.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -41.72 -58.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 10.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 50' ' ' LYS . 81.1 m -118.52 -52.67 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 10.0 108.275 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -33.25 -78.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 10.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.516 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 2.1 m -32.76 -63.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.477 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -39.72 -77.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 10.0 108.265 179.957 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -43.04 -40.99 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 10.0 109.581 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.78 74.2 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.3 t -176.01 -62.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 10.0 110.025 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -106.35 -58.6 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 10.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -41.37 122.08 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 10.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.45 ' O ' HG23 ' A' ' 60' ' ' THR . . . -57.4 -64.94 3.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.574 1.171 . . . . 10.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.43 ' HB2' ' CA ' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -74.98 96.25 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.792 . . . . 10.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 58' ' ' GLY . 33.1 p -97.75 31.94 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 10.0 110.357 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -155.59 -162.77 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 10.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 12.8 m -46.94 125.78 7.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 10.0 108.306 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.85 -21.1 37.11 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.553 1.158 . . . . 10.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 59' ' ' PRO . . . -75.76 -27.5 62.76 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.011 -0.835 . . . . 10.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.0 m -126.56 -74.01 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -59.32 148.08 33.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 10.0 109.576 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.1 mt -125.16 88.31 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.601 1.188 . . . . 10.0 109.228 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 10.0 109.26 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 80.5 t -129.99 110.76 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 10.0 109.363 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' PHE . 71.0 t -98.71 125.55 52.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 10.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.1 m -131.96 122.88 26.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 10.0 110.399 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.46 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 26.6 m-85 -113.15 117.18 31.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 10.0 110.999 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.39 106.9 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 10.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -98.04 -177.94 3.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 10.0 109.228 -179.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -64.12 -68.76 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 10.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -137.22 77.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 10.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.99 -38.41 0.04 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.53 1.144 . . . . 10.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 41.39 88.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 10.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 6' ' ' TYR . 7.5 p -84.45 121.83 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 10.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.5 m -104.63 63.3 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 10.0 110.377 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' VAL . 0.7 OUTLIER -53.02 171.32 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 10.0 111.033 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.868 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 7.1 m-20 -146.18 140.33 26.54 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 10.0 109.305 -179.925 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -104.28 -53.92 2.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 10.0 109.582 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -81.76 -43.54 18.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 10.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.868 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -57.52 -36.46 71.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 10.0 109.304 -179.917 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.406 ' ND1' ' HB2' ' A' ' 16' ' ' ASP . 6.2 m170 -78.4 -64.54 1.15 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 10.0 109.582 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.27 -46.9 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 10.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.11 -28.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 10.0 110.346 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.619 ' C ' HD23 ' A' ' 24' ' ' LEU . 69.6 mmtt -112.89 -20.05 11.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 10.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.846 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.08 -124.56 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 10.0 109.269 179.952 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 169.3 36.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 10.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 65.62 -68.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.292 -1.003 . . . . 10.0 108.292 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 25' ' ' GLY . 81.9 m-20 -35.21 -33.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 10.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . . . -40.99 -41.39 1.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 10.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.4 m -110.71 -58.62 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 10.0 108.272 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.667 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -85.14 -159.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 10.0 109.6 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.14 122.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 10.0 110.287 -179.912 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.6 -58.5 0.93 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 10.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 m -141.87 106.84 5.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 10.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.728 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -75.01 -91.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.524 1.802 . . . . 10.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 34' ' ' PRO . . . 88.37 -55.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 10.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.18 175.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 10.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 mt -138.21 164.84 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 10.0 109.25 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.76 80.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.822 HG23 ' HB2' ' A' ' 44' ' ' ALA . 12.3 mm -107.56 123.5 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 10.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' LYS . 40.3 p30 -161.13 171.44 18.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 10.0 109.386 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 68.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 10.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -173.26 -46.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 10.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.657 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 69.6 m -106.74 -34.0 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 10.0 109.952 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.822 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -58.64 -17.39 21.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 10.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -102.11 2.28 37.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.594 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.4 -155.13 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 10.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -44.43 -29.54 0.71 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.467 1.104 . . . . 10.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -41.34 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 10.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 88.0 m -92.7 -74.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 10.0 108.345 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.99 100.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 174.08 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 10.0 110.375 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.455 ' N ' HG22 ' A' ' 51' ' ' THR . 0.7 OUTLIER -82.24 -42.79 18.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 10.0 108.35 179.995 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.401 ' C ' ' N ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -45.73 -27.53 0.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 10.0 109.574 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -46.19 -25.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 53' ' ' HIS . 16.4 m -97.34 -51.36 4.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 10.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' A' ' 58' ' ' GLY . 4.8 m120 -97.13 124.89 41.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 10.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 51.0 m-80 64.36 -72.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 10.0 109.264 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' ASN . . . 60.35 99.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.469 1.106 . . . . 10.0 111.087 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.404 ' O ' ' OG1' ' A' ' 60' ' ' THR . 18.4 Cg_endo -74.95 163.71 34.87 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.531 1.806 . . . . 10.0 111.059 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 59' ' ' PRO . 1.1 m -175.04 -37.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 10.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.38 20.63 3.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 10.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.2 t 77.99 -58.87 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 10.0 108.337 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.88 48.77 3.95 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 10.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.21 -43.17 3.83 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.6 p -115.88 -41.31 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.274 -1.01 . . . . 10.0 108.274 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -64.55 169.22 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 10.0 109.617 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 91.5 mt -118.41 92.14 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 10.0 109.366 179.951 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 10.0 109.325 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.719 ' HB3' ' CB ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 16' ' ' ASP . 5.8 m -37.05 151.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' THR . 11.9 t -121.99 69.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 10.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' VAL . 34.3 m -36.88 121.23 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 10.0 110.398 -179.932 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -130.11 95.11 3.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -69.78 156.41 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 10.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 5.9 p30 -159.32 170.83 20.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 10.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -60.5 -49.56 77.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.426 1.079 . . . . 10.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 10.0 109.351 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -136.72 -101.26 0.59 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.439 1.087 . . . . 10.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -160.68 124.33 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 10.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 13' ' ' VAL . 7.5 p -104.2 43.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 10.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.3 m -42.24 99.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 10.0 110.42 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -56.6 -166.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 10.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.583 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 7.6 m-20 -163.55 94.29 0.78 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 10.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.719 ' CB ' ' HB3' ' A' ' 2' ' ' ASP . 0.4 OUTLIER -88.98 -38.24 14.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.583 1.177 . . . . 10.0 109.631 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.648 ' N ' ' HB3' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -61.91 -79.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 10.0 109.274 -179.942 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 22' ' ' GLU . . . -37.64 -48.21 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 10.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 3.2 m80 -63.31 -67.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 10.0 109.577 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 17' ' ' HIS . . . -40.59 -34.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 10.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.3 mm-40 -61.0 -46.72 89.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 10.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 20' ' ' HIS . 2.3 mmtp -88.72 -52.66 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 10.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.642 ' N ' HD12 ' A' ' 24' ' ' LEU . 3.0 mp -67.69 -112.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 10.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.459 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 148.44 42.48 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.53 1.143 . . . . 10.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.717 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 70.51 -53.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.378 -0.971 . . . . 10.0 108.378 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' GLY . 1.1 m-20 -57.7 66.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.717 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -150.64 -45.3 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 10.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.511 ' HB3' ' CD1' ' A' ' 37' ' ' ILE . 75.2 m -104.91 -24.91 12.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 10.0 108.321 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.6 ' CD2' ' HB3' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -99.29 -171.84 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 10.0 109.66 179.917 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.7 57.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 10.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.0 99.06 2.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 10.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.7 m 68.93 104.5 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.44 0.729 . . . . 10.0 110.399 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.6 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 18.2 Cg_endo -75.0 -179.07 4.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.454 1.765 . . . . 10.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 173.52 -49.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.481 1.113 . . . . 10.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER 178.44 172.67 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 10.0 109.299 -179.921 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.511 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 1.7 mt -148.48 151.07 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 10.0 109.306 179.942 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.45 96.16 8.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 10.0 109.329 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.469 HG23 ' HB2' ' A' ' 44' ' ' ALA . 37.7 mm -112.74 104.57 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 10.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' LYS . 9.5 p30 -159.09 -177.48 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 10.0 109.357 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -68.88 67.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 10.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' ASP . 76.6 tttt -168.64 -56.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 10.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.896 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -102.22 -33.44 9.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 10.0 109.996 179.983 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.469 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -64.68 -10.34 26.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 10.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.46 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 6.2 m170 -119.91 7.56 10.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 10.0 109.535 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.521 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -143.3 -124.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 10.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.564 ' O ' ' C ' ' A' ' 48' ' ' ALA . 16.9 m-20 -31.48 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 10.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.896 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -26.25 -74.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 10.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.64 ' O ' HG23 ' A' ' 51' ' ' THR . 60.6 m -96.99 -133.04 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 10.0 108.302 179.931 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER 34.74 36.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 10.0 109.251 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 49' ' ' CYS . 1.5 p -132.83 -106.12 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.579 1.175 . . . . 10.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.538 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 2.4 t -64.36 102.44 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 10.0 108.314 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER 168.45 -44.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 10.0 109.591 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.51 ' HG3' HG21 ' A' ' 60' ' ' THR . 1.0 OUTLIER -81.31 66.31 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 10.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.26 -54.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.107 . . . . 10.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -123.71 -71.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 10.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -124.96 101.65 7.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 10.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.5 89.22 0.11 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.542 1.151 . . . . 10.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 53.54 3.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 10.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.51 HG21 ' HG3' ' A' ' 54' ' ' LYS . 5.7 t -90.05 45.17 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 10.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -119.13 37.41 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 10.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.2 t 74.39 147.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 10.0 108.332 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' GLY . . . 75.83 -52.3 2.81 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 10.0 110.987 -179.942 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLY . . . -34.64 -67.72 0.25 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.4 m -68.83 -59.69 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.283 -1.006 . . . . 10.0 108.283 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 68' ' ' LYS . 83.9 m-70 -73.94 96.09 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 10.0 109.554 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.0 mm -63.93 81.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 10.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 66' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 10.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -146.25 -46.69 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 10.0 109.353 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 3' ' ' VAL . 76.6 t -133.45 70.02 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 10.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 73.8 t -53.55 144.03 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 10.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.7 m -136.5 143.71 43.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.497 ' HB2' HG13 ' A' ' 13' ' ' VAL . 5.7 m-85 -136.67 113.91 10.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 10.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.18 115.03 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -99.48 175.33 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 10.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.15 -28.66 25.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 10.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.729 ' HD2' HMA1 ' A' ' 158' ' ' HEC . 2.3 ptpt -121.92 65.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 10.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.02 -157.87 14.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.13 . . . . 10.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -152.52 156.09 38.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 10.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.838 HG21 HMD3 ' A' ' 158' ' ' HEC . 8.0 p -128.33 66.82 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 10.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 m -58.29 98.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 10.0 110.396 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.676 ' CE1' HBB3 ' A' ' 128' ' ' HEC . 68.4 m-85 -73.96 178.49 4.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.471 ' OD1' ' HB3' ' A' ' 19' ' ' ALA . 4.8 m-20 -146.94 133.41 19.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 10.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.535 ' CE1' ' NB ' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -109.92 -59.48 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 10.0 109.626 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -79.69 -50.77 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 10.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.471 ' HB3' ' OD1' ' A' ' 16' ' ' ASP . . . -56.51 -27.94 58.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 10.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.58 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -88.92 -51.29 5.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 10.0 109.612 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -40.08 -29.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 10.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 20' ' ' HIS . 2.5 mt-10 -51.98 -56.32 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 10.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.06 -47.68 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 10.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.042 HD22 HMC1 ' A' ' 98' ' ' HEC . 6.6 mp -60.72 -101.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 10.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 128.23 35.14 0.51 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 10.0 111.064 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 64.36 -75.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.328 -0.989 . . . . 10.0 108.328 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 25' ' ' GLY . 16.7 t0 -39.37 -31.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 10.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.68 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -48.21 -37.63 16.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.376 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 1.9 m -111.0 -58.29 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 10.0 108.309 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 27' ' ' ASP . 38.6 m-70 -76.65 173.81 11.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 10.0 109.57 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.01 91.58 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.95 103.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 10.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.0 m 67.4 104.72 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 10.0 110.369 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.583 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.3 Cg_endo -74.98 -172.65 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.497 1.788 . . . . 10.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 173.12 -55.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 10.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HD2' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -177.63 172.08 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 10.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.785 HD12 ' C1D' ' A' ' 98' ' ' HEC . 46.4 mt -132.97 8.04 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 10.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.426 ' HB2' ' HD2' ' A' ' 36' ' ' LYS . . . 39.73 87.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 10.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.029 HG23 ' HB2' ' A' ' 44' ' ' ALA . 7.3 mm -122.18 143.16 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 10.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -172.17 -66.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.5 80.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 10.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 172.26 -49.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 10.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.71 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -92.56 -43.02 9.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 10.0 109.984 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 1.029 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -56.53 -18.56 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 10.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -100.24 4.41 44.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 10.0 109.622 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -113.12 -162.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 10.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 48' ' ' ALA . 44.8 m-20 -40.88 -29.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 10.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.31 -62.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 10.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 94.4 m -102.44 -64.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 10.0 108.323 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 51' ' ' THR . 0.5 OUTLIER -56.38 95.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 10.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER 171.51 -58.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 10.0 110.363 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 14.0 t -102.74 62.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 10.0 108.343 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.607 ' CB ' HG23 ' A' ' 60' ' ' THR . 15.2 m170 -148.95 -46.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 10.0 109.557 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.917 ' HG3' HG21 ' A' ' 60' ' ' THR . 43.7 mttt -61.85 80.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 10.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 53' ' ' HIS . 8.7 p 169.69 -50.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 10.0 109.964 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -120.25 173.47 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 7.9 t30 78.08 -66.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 10.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.94 -79.97 0.36 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 10.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.47 1.773 . . . . 10.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.917 HG21 ' HG3' ' A' ' 54' ' ' LYS . 47.5 m -112.52 -23.88 10.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 110.376 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -92.91 -158.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 10.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.677 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 0.1 OUTLIER -44.74 135.8 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 10.0 108.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.44 -28.58 14.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 10.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.6 -66.04 2.31 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.746 ' SG ' HMB3 ' A' ' 128' ' ' HEC . 1.0 OUTLIER -87.35 -71.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.328 -0.99 . . . . 10.0 108.328 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -54.58 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 109.607 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 67' ' ' ILE . 11.2 tt -44.86 108.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 10.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 10.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.376 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 0.788 HBC3 HMC1 ' A' ' 128' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.677 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 5.6 m-20 158.12 -28.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 10.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -174.61 129.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 t -111.19 150.17 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 10.0 109.351 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -126.94 117.12 21.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 10.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -111.51 89.79 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 10.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -88.18 124.21 33.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 10.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -130.93 -176.57 4.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 10.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -70.13 -66.98 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.598 1.186 . . . . 10.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -40.24 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 10.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.48 128.04 1.89 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.089 . . . . 10.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -58.57 138.04 57.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.764 . . . . 10.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.51 HG11 ' C2D' ' A' ' 158' ' ' HEC . 4.4 p -119.61 80.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 10.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.2 m -55.4 146.29 20.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 10.0 110.341 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.548 ' CE1' HBB3 ' A' ' 128' ' ' HEC . 5.1 m-30 -114.13 -172.49 2.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.393 1.058 . . . . 10.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.752 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 44.7 m-20 -158.64 127.04 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 10.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.429 ' CD2' ' NB ' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -103.39 -41.31 6.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 10.0 109.581 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -102.77 -26.59 13.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 10.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.752 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -74.91 -25.93 59.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 10.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.422 ' ND1' ' HB2' ' A' ' 16' ' ' ASP . 0.6 OUTLIER -96.96 -56.84 2.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 10.0 109.607 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -39.78 -47.12 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 10.0 109.326 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' ALA . 9.2 pt-20 -37.03 -33.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 10.0 110.232 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' ALA . 12.9 mmtt -109.52 -60.39 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 10.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.026 HD22 HMC1 ' A' ' 98' ' ' HEC . 8.7 mp -41.54 -76.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 10.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.3 14.56 6.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 10.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 74.19 -68.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.358 -0.979 . . . . 10.0 108.358 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.14 -26.58 0.49 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 10.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.818 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -54.75 -38.65 67.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 10.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.678 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 12.8 m -105.96 -57.13 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 10.0 108.335 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.568 ' CE1' ' NA ' ' A' ' 98' ' ' HEC . 54.1 m-70 -79.9 178.79 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 10.0 109.596 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -156.08 96.93 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 10.0 110.32 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 58.9 97.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.438 1.086 . . . . 10.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.4 m 67.63 104.42 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.425 0.721 . . . . 10.0 110.439 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.739 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.93 -175.32 2.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 10.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' HAA1 ' A' ' 98' ' ' HEC . . . -178.35 -50.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 10.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' O ' ' CG1' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -176.64 -172.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 10.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.795 HD12 ' C1D' ' A' ' 98' ' ' HEC . 23.2 mt -154.0 157.64 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 10.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.36 97.55 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 10.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.807 HG13 HMD1 ' A' ' 98' ' ' HEC . 4.8 mm -134.88 112.82 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 10.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -166.21 -64.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 10.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' LYS . 17.0 tttt -143.78 -117.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 10.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -36.65 -46.13 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 10.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.696 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 5.1 m -50.4 -63.39 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 10.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.15 -16.83 14.87 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.092 . . . . 10.0 109.27 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.508 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 14.7 m170 -100.4 1.2 41.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 10.0 109.626 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -107.91 -158.46 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 10.0 109.289 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.53 -26.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 10.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -41.39 -58.82 1.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 10.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -107.47 -73.08 0.7 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 10.0 108.315 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -47.24 98.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.557 1.161 . . . . 10.0 109.349 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.579 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER -177.44 -72.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 10.0 110.384 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 1.659 ' SG ' ' HAC' ' A' ' 128' ' ' HEC . 16.6 t -93.4 64.48 3.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 10.0 108.313 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.441 ' CD2' ' NC ' ' A' ' 128' ' ' HEC . 0.3 OUTLIER -159.36 -48.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 10.0 109.505 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.627 ' HB3' HG21 ' A' ' 60' ' ' THR . 1.5 pttt -71.18 73.32 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 10.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.7 t -171.55 -62.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 10.0 109.971 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -97.6 -60.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 10.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -40.81 -84.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 10.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.79 -64.28 0.6 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.539 1.149 . . . . 10.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 86.96 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.469 1.773 . . . . 10.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.627 HG21 ' HB3' ' A' ' 54' ' ' LYS . 11.5 t -105.27 4.51 31.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 10.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 62' ' ' CYS . 8.6 pttt -110.43 -162.97 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 10.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.586 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 0.5 OUTLIER -52.79 154.51 2.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 10.0 108.315 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLY . . . 84.58 -43.54 3.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 10.0 111.004 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' GLY . . . -37.01 -85.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.029 -0.829 . . . . 10.0 111.029 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.417 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 5.6 p -81.75 -54.68 5.18 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.285 -1.005 . . . . 10.0 108.285 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -60.69 128.68 37.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 10.0 109.659 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.9 mt -132.34 103.66 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 10.0 109.336 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 10.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.678 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.659 ' HAC' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.586 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 17' ' ' HIS . 33.0 m-20 -59.37 -67.3 0.39 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.525 1.141 . . . . 10.0 109.354 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 15' ' ' PHE . 7.9 p -85.8 144.13 10.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 10.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 4' ' ' VAL . 59.2 t -125.86 39.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.522 ' H ' HG22 ' A' ' 3' ' ' VAL . 9.9 m -42.21 131.6 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 10.0 110.371 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.523 ' CE1' HBD1 ' A' ' 158' ' ' HEC . 2.2 m-85 -85.78 -173.97 4.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 10.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.26 42.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 10.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -59.91 177.95 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 10.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -99.45 7.73 45.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 10.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.569 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 0.0 OUTLIER -137.82 75.49 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 10.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.92 100.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 10.0 111.052 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -68.77 142.73 54.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.453 0.737 . . . . 10.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.432 HG22 ' HB2' ' A' ' 6' ' ' TYR . 9.6 m -91.47 154.81 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 10.0 109.217 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.0 m -102.75 71.39 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 10.0 110.476 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.921 ' CE1' HBB3 ' A' ' 128' ' ' HEC . 0.2 OUTLIER -44.93 164.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 10.0 110.992 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.533 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 3.7 m-20 -150.6 116.7 5.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 10.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.491 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.2 t-80 -105.08 -50.96 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 10.0 109.566 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 2.3 tttt -89.53 -34.62 16.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 10.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.508 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -65.85 -36.93 84.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 10.0 109.232 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.533 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -79.23 -59.71 2.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 10.0 109.571 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HB1' HBB1 ' A' ' 98' ' ' HEC . . . -39.89 -30.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 10.0 109.236 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.2 mm-40 -47.34 -52.63 15.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 10.0 110.291 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -90.6 -41.59 11.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 10.0 109.276 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.816 HD22 HMC1 ' A' ' 98' ' ' HEC . 5.5 mp -71.74 -108.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 10.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 138.49 40.37 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.448 1.092 . . . . 10.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 70.08 -59.22 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.281 -1.007 . . . . 10.0 108.281 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' GLY . 15.9 m-20 -66.4 62.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 10.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.812 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -142.17 -47.18 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 10.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.406 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 0.1 OUTLIER -116.25 -7.08 11.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 10.0 108.334 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.595 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 93.1 m-70 -115.45 -167.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 10.0 109.548 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.34 116.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 10.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.48 -53.07 3.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.563 1.165 . . . . 10.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.4 m -145.96 105.26 4.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 10.0 110.425 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.63 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.96 52.02 2.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 10.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.91 -174.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.66 117.29 16.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 10.0 109.276 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 52.2 mt -80.32 158.35 4.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 10.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.7 89.65 6.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 10.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.871 HD12 ' HB2' ' A' ' 44' ' ' ALA . 20.2 mm -112.34 137.35 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 10.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 178.49 -50.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 10.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 41' ' ' LYS . 1.6 tttt 178.29 58.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 10.0 109.27 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' LYS . 9.9 ttmt -164.22 -75.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 10.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.791 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -60.96 -49.16 78.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 10.0 110.072 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.871 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -62.48 -13.73 33.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 10.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.411 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 7.6 m170 -114.72 3.53 14.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 10.0 109.593 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 42' ' ' LYS . 20.3 tttt -107.89 -106.22 0.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 109.325 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 1.6 m-20 -109.47 -17.27 13.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 10.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.791 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -47.31 -55.9 7.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 10.0 109.316 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 51' ' ' THR . 0.8 OUTLIER -97.29 -67.72 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 10.0 108.269 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -54.89 90.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 10.0 109.226 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 49' ' ' CYS . 1.0 OUTLIER -175.77 -52.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 10.0 110.401 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 1.598 ' SG ' ' HAC' ' A' ' 128' ' ' HEC . 0.5 OUTLIER -80.55 -57.11 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 10.0 108.328 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -48.41 -62.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 10.0 109.604 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -73.02 59.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 10.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -149.69 -47.26 0.13 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.438 1.086 . . . . 10.0 110.048 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -115.33 -68.73 0.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 10.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -176.98 130.19 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.071 . . . . 10.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.68 -168.04 37.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.566 1.166 . . . . 10.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.05 9.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 10.0 111.039 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.1 t -173.33 46.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 10.0 110.395 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 62' ' ' CYS . 12.4 ptmt -155.01 31.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 10.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.673 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 3.8 t 81.57 -70.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 10.0 108.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.4 58.42 0.64 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.498 1.124 . . . . 10.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.5 -85.57 0.1 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.4 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 8.9 m -62.14 -51.39 68.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.339 -0.985 . . . . 10.0 108.339 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.674 ' CE1' ' C1B' ' A' ' 158' ' ' HEC . 4.2 m-70 -65.6 141.51 58.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 10.0 109.632 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mm -128.14 110.55 21.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 10.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 10.0 109.343 179.91 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.406 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.598 ' HAC' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.673 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.94 -64.37 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.59 1.181 . . . . 10.0 109.239 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.827 HG13 ' O ' ' A' ' 15' ' ' PHE . 54.8 t -137.77 117.58 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.251 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' PHE . 3.2 t -89.85 158.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 10.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.407 ' N ' ' CG1' ' A' ' 4' ' ' VAL . 52.9 m -130.84 123.65 29.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 10.0 110.483 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.661 ' CD1' ' CGD' ' A' ' 158' ' ' HEC . 0.4 OUTLIER -120.49 93.89 4.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.402 1.064 . . . . 10.0 111.013 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -81.03 134.23 35.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 10.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -134.22 170.4 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 10.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -51.82 -65.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 10.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -47.47 -68.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 10.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.31 -142.65 3.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.471 1.107 . . . . 10.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -148.13 156.73 42.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.796 . . . . 10.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.9 m -129.84 104.19 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 10.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.742 HG23 ' O ' ' A' ' 14' ' ' THR . 13.1 t -69.13 83.59 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 10.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.827 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.5 m-30 -47.93 167.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 10.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.544 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 7.5 m-20 -137.24 122.26 19.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 10.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -104.55 -60.86 1.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 10.0 109.598 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -85.22 -31.19 23.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.168 . . . . 10.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.96 -28.92 67.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 10.0 109.321 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.646 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -92.11 -50.3 5.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 10.0 109.548 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -38.94 -30.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 10.0 109.263 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' HIS . 1.9 mt-10 -54.62 -50.3 68.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 10.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 20' ' ' HIS . 10.9 mttt -92.26 -56.42 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 10.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.032 HD22 HMC1 ' A' ' 98' ' ' HEC . 7.3 mp -47.33 -85.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 10.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 118.1 24.28 3.32 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.47 1.106 . . . . 10.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER 67.88 -69.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.319 -0.993 . . . . 10.0 108.319 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' GLY . 69.2 m-20 -39.85 -30.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 10.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.718 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -51.48 -43.63 62.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 10.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.664 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 5.5 m -105.01 -51.38 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 10.0 108.282 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.533 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 4.8 m-70 -97.29 -153.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 10.0 109.658 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -139.52 -156.0 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 10.0 110.359 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.51 -20.67 7.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 10.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.1 m -151.75 107.87 2.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 10.0 110.397 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.795 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.3 Cg_endo -74.99 -164.96 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.516 1.798 . . . . 10.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 176.49 -49.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 10.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.08 -178.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 10.0 109.265 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.608 HD12 ' C2D' ' A' ' 98' ' ' HEC . 19.3 mt -150.51 148.52 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 10.0 109.354 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.52 98.85 11.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 10.0 109.293 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.684 ' CD1' ' HB2' ' A' ' 44' ' ' ALA . 3.4 mm -124.1 144.17 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 10.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 9.0 t0 -177.64 -67.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 10.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.52 ' HG3' ' C2A' ' A' ' 158' ' ' HEC . 0.0 OUTLIER -178.37 67.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 10.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -169.48 -65.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 10.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.789 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -76.56 -47.39 22.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 10.0 110.026 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.684 ' HB2' ' CD1' ' A' ' 39' ' ' ILE . . . -55.21 -18.63 6.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 10.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -101.2 6.77 43.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 10.0 109.641 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.431 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -118.08 -162.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 10.0 109.267 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.504 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 2.7 m-20 -43.72 -27.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 10.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.23 -54.36 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 10.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.654 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 58.4 m -120.9 -56.2 1.95 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.117 . . . . 10.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -31.8 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 10.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.504 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 2.6 m -33.56 -81.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 110.363 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 1.44 ' SG ' ' CAC' ' A' ' 128' ' ' HEC . 6.9 t -62.49 89.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 10.0 108.262 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.466 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 1.0 OUTLIER 165.04 -60.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 10.0 109.593 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -73.69 67.06 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 10.0 109.249 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -148.65 -45.97 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 10.0 109.995 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -106.84 -68.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 10.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.43 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 1.2 t30 -174.53 158.53 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.615 1.197 . . . . 10.0 109.356 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' A' ' 57' ' ' ASN . . . 136.33 -152.21 21.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 10.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.502 ' CG ' ' SG ' ' A' ' 65' ' ' CYS . 18.4 Cg_endo -74.96 135.15 18.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 10.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 m -168.79 -39.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 10.0 110.446 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 63' ' ' GLY . 4.9 ptmt -85.86 44.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 10.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.672 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 10.6 t 65.37 -75.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 10.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -61.59 78.74 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.505 1.128 . . . . 10.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -152.4 -67.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.981 -0.848 . . . . 10.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.502 ' SG ' ' CG ' ' A' ' 59' ' ' PRO . 89.5 m -72.2 -55.68 6.83 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.285 -1.006 . . . . 10.0 108.285 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.45 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 15.6 m-70 -74.13 89.91 2.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 10.0 109.607 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 67' ' ' ILE . 11.0 tt -44.16 108.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 10.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.664 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.654 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.672 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.467 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -77.08 -49.85 14.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 10.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 15' ' ' PHE . 95.4 t -133.02 126.27 53.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 15' ' ' PHE . 34.5 m -116.45 147.57 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 10.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.455 HG23 ' OD1' ' A' ' 12' ' ' ASN . 4.9 m -134.75 98.14 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 10.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.468 ' HB2' HG12 ' A' ' 13' ' ' VAL . 95.4 m-85 -69.76 96.23 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 10.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.411 ' HA ' ' CB ' ' A' ' 12' ' ' ASN . 2.6 mt-10 -70.2 121.48 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 10.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 10' ' ' LYS . 26.6 p30 -129.97 -172.38 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 10.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -41.75 30.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 10.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' C ' ' OD1' ' A' ' 8' ' ' ASN . 1.5 mmmt -85.98 48.75 1.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.318 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.401 ' C ' ' OD1' ' A' ' 8' ' ' ASN . . . 90.92 -126.19 8.3 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.135 . . . . 10.0 111.056 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.455 ' OD1' HG23 ' A' ' 5' ' ' THR . 12.0 p30 178.27 141.37 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 10.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.719 HG21 HMD3 ' A' ' 158' ' ' HEC . 4.1 p -88.34 122.66 40.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 10.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.416 ' O ' HG22 ' A' ' 14' ' ' THR . 6.1 m -89.98 74.81 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 10.0 110.455 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.718 ' HE2' HMD2 ' A' ' 98' ' ' HEC . 0.9 OUTLIER -56.35 171.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.961 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 22.1 m-20 -148.41 110.16 4.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 10.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -95.17 -49.5 5.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 10.0 109.546 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -96.15 -14.44 22.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 10.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.961 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -80.6 -25.54 38.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 10.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.62 ' CE1' ' C4D' ' A' ' 128' ' ' HEC . 0.9 OUTLIER -102.17 -56.0 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 10.0 109.587 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.517 ' HB1' HBB1 ' A' ' 98' ' ' HEC . . . -40.67 -44.22 2.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 10.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.49 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 10.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.1 mmmt -117.65 -52.83 2.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 10.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.574 HD11 ' CAC' ' A' ' 128' ' ' HEC . 2.0 mm? -45.41 -86.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 10.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 26' ' ' CYS . . . 128.36 4.52 5.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 10.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.9 m 85.8 -67.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 30' ' ' HIS . 24.8 m-20 -41.35 -27.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 109.367 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.558 ' CB ' HD12 ' A' ' 24' ' ' LEU . . . -50.6 -47.78 58.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 10.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.518 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 1.6 m -102.95 -50.7 3.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.551 1.157 . . . . 10.0 108.307 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' A' ' 27' ' ' ASP . 31.7 m-70 -85.16 -168.42 2.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 10.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 172.77 98.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 10.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.76 81.76 0.57 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.444 1.09 . . . . 10.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 m 74.46 105.11 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 10.0 110.351 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.679 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.3 Cg_endo -74.99 167.5 26.92 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.395 1.734 . . . . 10.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -173.59 179.09 2.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 10.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -75.85 108.71 8.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 10.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 38' ' ' ALA . 28.8 mt -77.28 164.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 10.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.474 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -81.42 98.44 8.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.586 1.179 . . . . 10.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.819 HG13 HMD1 ' A' ' 98' ' ' HEC . 4.0 mm -120.27 135.78 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 10.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.3 OUTLIER 165.57 173.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 10.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.514 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -37.78 135.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 10.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER 89.82 -73.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 10.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.703 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 2.7 m -53.56 -62.13 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 10.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.571 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -57.47 -17.17 11.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.571 1.17 . . . . 10.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.556 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 27.0 m170 -100.55 0.84 40.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 10.0 109.614 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -106.98 -154.84 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 10.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -53.55 -23.35 10.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -41.13 -56.23 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 109.248 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 m -109.29 -60.19 1.8 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 10.0 108.233 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 51' ' ' THR . 6.8 mtpt -55.26 98.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 10.0 109.368 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.584 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 168.75 -72.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 10.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.584 ' N ' HG22 ' A' ' 51' ' ' THR . 1.2 t -72.88 -8.47 55.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 10.0 108.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.4 ' ND1' ' HA2' ' A' ' 58' ' ' GLY . 1.4 m170 -98.42 27.56 4.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 10.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -107.1 -50.69 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 10.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 t -83.39 51.51 2.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 10.0 110.042 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 175.74 -163.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 10.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 58' ' ' GLY . 73.0 m-20 -61.46 -69.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 10.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . 37.59 91.59 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.428 1.08 . . . . 10.0 111.024 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 59.79 5.3 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.449 1.762 . . . . 10.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.512 ' HA ' HMC1 ' A' ' 158' ' ' HEC . 9.3 t -85.9 44.54 1.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 10.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -114.71 28.61 8.61 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.579 1.174 . . . . 10.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.644 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 0.5 OUTLIER 88.04 -74.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 10.0 108.269 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.05 66.5 0.68 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.471 1.107 . . . . 10.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.0 -49.73 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.033 -0.827 . . . . 10.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.396 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 0.0 OUTLIER -98.81 -44.11 6.5 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.346 -0.983 . . . . 10.0 108.346 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.613 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 49.4 m-70 -88.06 104.79 16.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.395 1.06 . . . . 10.0 109.543 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 21.1 mt -102.72 96.92 5.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 10.0 109.348 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 10.0 109.253 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.518 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 0.842 HBC3 HMC1 ' A' ' 128' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.644 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.417 ' C ' ' CG ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.417 ' CG ' ' C ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -169.94 81.34 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 10.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 4' ' ' VAL . 59.7 t 63.92 161.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 10.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 4' ' ' VAL . 98.1 t -144.01 58.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 10.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 t -40.47 160.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 10.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.504 ' OH ' ' CGD' ' A' ' 98' ' ' HEC . 0.8 OUTLIER -143.59 111.09 5.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 10.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.28 127.68 32.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 10.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -141.23 -179.36 6.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 10.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -90.7 -37.88 13.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 10.0 109.353 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -101.22 51.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 10.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.9 141.93 1.07 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 10.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 12.4 p30 -73.92 149.0 41.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.805 . . . . 10.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' THR . 3.6 p -91.67 76.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' VAL . 1.9 m -38.03 111.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 10.0 110.378 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.652 ' HE2' HMD2 ' A' ' 98' ' ' HEC . 1.3 m-85 -84.5 -170.72 3.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 10.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.594 ' CB ' ' CG ' ' A' ' 20' ' ' HIS . 23.0 m-20 -153.37 110.29 3.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 10.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.6 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -109.17 -57.18 2.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 10.0 109.6 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.65 -47.56 10.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 10.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.488 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -59.28 -26.0 64.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 10.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.597 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -93.58 -50.37 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 10.0 109.623 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -45.52 -42.29 10.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 10.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -50.74 -23.98 3.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 10.0 110.287 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -116.34 -65.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 10.0 109.344 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.036 HD22 HMC1 ' A' ' 98' ' ' HEC . 8.8 mp -38.64 -76.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 10.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.418 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 120.06 8.43 8.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.403 1.065 . . . . 10.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.425 ' C ' ' N ' ' A' ' 28' ' ' ALA . 1.1 m 76.13 -62.58 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.295 -1.002 . . . . 10.0 108.295 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' HIS . 8.8 p-10 -43.44 -27.62 0.29 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 10.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.761 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -53.71 -40.73 66.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 10.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.507 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 4.0 m -105.05 -56.55 2.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 10.0 108.35 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.493 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 35.9 m-70 -85.52 -175.92 5.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 10.0 109.606 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 178.27 100.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 10.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.71 75.08 1.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 10.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.4 m 67.2 105.44 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.747 . . . . 10.0 110.405 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.912 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.5 Cg_endo -74.97 149.21 36.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 10.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.43 ' O ' HAA1 ' A' ' 98' ' ' HEC . . . -141.26 -45.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 10.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.27 -176.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 10.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.663 HD12 ' C2D' ' A' ' 98' ' ' HEC . 4.5 mt -142.95 157.71 17.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 10.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.76 78.12 4.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 10.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.622 HG13 HMD1 ' A' ' 98' ' ' HEC . 27.3 mm -104.54 137.34 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.401 1.063 . . . . 10.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER 168.83 158.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 10.0 109.337 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 38.0 tttt -38.98 136.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 10.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 15.2 tttm 90.88 -68.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 10.0 109.234 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.61 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 33.1 m -59.16 -59.84 4.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 10.0 110.008 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.576 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -58.62 -17.11 19.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 10.0 109.371 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -98.83 -1.27 40.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 10.0 109.61 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.416 ' C ' ' N ' ' A' ' 48' ' ' ALA . 2.7 tttt -103.7 -158.56 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 10.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' ALA . 4.0 m-20 -46.66 -25.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 10.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.06 -68.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 10.0 109.344 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.464 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 70.5 m -95.98 -67.96 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 10.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 51' ' ' THR . 0.7 OUTLIER -53.67 102.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.394 1.059 . . . . 10.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER 168.85 -59.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 10.0 110.367 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -52.47 65.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 10.0 108.287 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -56.75 -42.15 78.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 10.0 109.539 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -51.5 -30.25 19.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 10.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.5 t -52.32 -64.99 0.64 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 10.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -105.57 -76.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 10.0 109.375 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -169.37 159.73 8.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 10.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.25 -160.64 34.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 10.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.449 ' HB3' ' CA ' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -74.99 74.11 4.1 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 10.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.0 m -79.25 -43.34 23.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 10.0 110.377 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.41 ' CG ' ' N ' ' A' ' 62' ' ' CYS . 0.4 OUTLIER -97.02 -172.86 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 10.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.41 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -63.53 -177.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 10.0 108.321 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.71 28.82 3.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 10.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.449 ' CA ' ' HB3' ' A' ' 59' ' ' PRO . . . -107.12 -66.34 0.63 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.084 -0.806 . . . . 10.0 111.084 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.78 -64.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.285 -1.006 . . . . 10.0 108.285 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -56.1 160.29 2.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 10.0 109.603 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.1 mt -123.04 102.9 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 10.0 109.362 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.4 tttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 10.0 109.338 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.507 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.464 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.052 ' HHC' HBB2 ' A' ' 158' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.4 OUTLIER 158.97 -32.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 10.0 109.28 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 15' ' ' PHE . 14.5 p -172.16 128.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 10.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.477 HG12 ' CZ ' ' A' ' 6' ' ' TYR . 33.9 t -118.44 65.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 10.0 109.365 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.8 m -71.54 113.89 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 10.0 110.373 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.477 ' CZ ' HG12 ' A' ' 4' ' ' VAL . 37.1 m-85 -98.54 120.68 39.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.398 1.061 . . . . 10.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -88.52 115.91 26.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 10.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -116.58 -172.58 2.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 10.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -36.78 23.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 10.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.05 50.77 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 10.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.83 -124.55 7.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 10.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.424 ' O ' HD12 ' A' ' 67' ' ' ILE . 8.7 p-10 177.03 153.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 10.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.483 HG21 HMD3 ' A' ' 158' ' ' HEC . 0.7 OUTLIER -109.24 114.48 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 10.0 109.283 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.63 ' O ' HG22 ' A' ' 14' ' ' THR . 8.4 m -81.04 51.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 10.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.686 ' O ' HG23 ' A' ' 3' ' ' VAL . 83.5 t80 -46.61 168.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 10.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.447 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 20.6 m-20 -147.91 147.8 30.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 10.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.95 -54.61 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 10.0 109.551 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -85.52 -45.84 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 10.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.13 -29.3 65.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.549 1.156 . . . . 10.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.951 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -85.77 -52.61 5.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 10.0 109.582 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.11 -29.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 10.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 20' ' ' HIS . 1.3 mm-40 -47.11 -58.48 3.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 10.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -89.34 -47.38 8.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 10.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.043 HD22 HMC1 ' A' ' 98' ' ' HEC . 1.4 mp -49.6 -87.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 26' ' ' CYS . . . 122.92 5.95 7.95 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.464 1.102 . . . . 10.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.8 m 83.82 -69.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.318 -0.993 . . . . 10.0 108.318 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 30' ' ' HIS . 0.5 OUTLIER -41.75 -28.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 10.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.814 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -50.21 -42.6 51.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 10.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.378 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 2.5 m -107.14 -54.35 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 10.0 108.355 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.47 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 47.2 m-70 -82.79 -176.85 6.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 10.0 109.579 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -160.63 112.62 1.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 10.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 44.34 92.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 10.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.0 m 69.6 105.15 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 10.0 110.363 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.83 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.4 Cg_endo -75.02 -163.18 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 10.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 177.42 -58.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 10.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -177.2 172.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 10.0 109.279 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.453 HD12 ' C1D' ' A' ' 98' ' ' HEC . 5.7 mt -143.22 158.78 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 10.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.95 93.58 4.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 10.0 109.349 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.058 HD12 ' HB2' ' A' ' 44' ' ' ALA . 13.8 mm -123.3 139.62 49.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 10.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -171.93 -60.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 10.0 109.268 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.523 ' HA ' ' CE1' ' A' ' 45' ' ' HIS . 4.1 tmtt? -177.87 66.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 10.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.63 -77.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 10.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.755 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -66.81 -49.34 66.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 10.0 110.066 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 1.058 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -57.01 -17.55 10.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.593 1.183 . . . . 10.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.523 ' CE1' ' HA ' ' A' ' 41' ' ' LYS . 60.2 m80 -98.56 0.61 45.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 10.0 109.628 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -111.3 -164.88 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 10.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.476 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 7.3 m-20 -39.53 -29.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 10.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.16 -54.45 2.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 10.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.722 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 3.7 m -123.64 -48.16 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 10.0 108.373 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 49' ' ' CYS . 2.8 mmtt -37.13 -55.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 10.0 109.321 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.476 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 6.8 m -68.16 -57.26 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 10.0 110.428 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.537 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 3.0 t -73.92 96.86 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 108.343 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER 162.76 -36.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 10.0 109.642 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -101.59 60.26 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 109.36 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.71 -49.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 10.0 109.951 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.33 -61.85 1.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 10.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -166.29 123.58 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 10.0 109.253 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 175.99 158.72 20.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.579 1.174 . . . . 10.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.477 ' HG2' ' CA ' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -75.01 138.87 23.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 10.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -144.52 16.58 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 10.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -28.59 54.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 10.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.709 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 44.1 t -177.23 -106.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 10.0 108.317 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . -56.89 -71.78 0.68 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 10.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.477 ' CA ' ' HG2' ' A' ' 59' ' ' PRO . . . 68.65 -57.86 0.49 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.015 -0.834 . . . . 10.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.381 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 2.2 p -88.97 -1.22 58.0 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -96.48 139.37 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 10.0 109.595 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.424 HD12 ' O ' ' A' ' 12' ' ' ASN . 3.3 mp -102.36 91.18 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 10.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 tttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 10.0 109.241 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.378 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.722 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.709 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -40.93 -54.5 2.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 10.0 109.35 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.7 t -110.49 156.4 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 10.0 109.37 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.473 HG11 ' CZ ' ' A' ' 6' ' ' TYR . 79.7 t -134.51 146.97 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 10.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.17 124.4 10.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 10.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.473 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 59.7 m-85 -118.26 133.87 55.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 10.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -87.98 143.72 26.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 10.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -154.64 170.06 22.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 10.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -102.19 26.21 7.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 10.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.56 59.95 0.69 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 10.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.84 139.11 0.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 10.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.38 138.29 38.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 10.0 109.313 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 13' ' ' VAL . 10.8 p -113.48 60.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 10.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -55.43 127.42 29.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 10.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.999 ' CZ ' HBB3 ' A' ' 128' ' ' HEC . 2.5 m-30 -101.88 -179.73 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.391 1.057 . . . . 10.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.473 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 61.1 m-20 -143.11 133.81 25.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 10.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -107.87 -58.7 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 10.0 109.588 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.12 -33.73 16.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 10.0 109.262 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.33 66.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 10.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -88.13 -52.52 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 10.0 109.645 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -41.04 -29.35 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 10.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 20' ' ' HIS . 2.8 mt-10 -49.32 -51.2 35.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.168 . . . . 10.0 110.307 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.24 -40.5 10.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 10.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.976 HD22 HMC1 ' A' ' 98' ' ' HEC . 6.2 mp -68.69 -105.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 10.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.526 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 133.83 40.19 0.19 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 10.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 61.83 -77.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 25' ' ' GLY . 7.2 m-20 -38.35 -41.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 10.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.896 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -39.38 -38.13 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 10.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.575 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 0.6 OUTLIER -111.8 -59.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 10.0 108.242 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 73.5 m-70 -68.02 -162.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 10.0 109.607 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -166.67 95.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 10.0 110.374 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.36 96.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.535 1.147 . . . . 10.0 111.013 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.7 m 68.39 104.82 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 10.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.809 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.5 Cg_endo -75.0 -172.99 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.585 1.834 . . . . 10.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -176.14 -52.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 10.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -179.88 -177.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 10.0 109.322 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.487 HD12 ' C2D' ' A' ' 98' ' ' HEC . 23.3 mt -154.33 142.81 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 10.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.474 ' HB3' ' HB2' ' A' ' 43' ' ' SER . . . -70.98 94.44 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 10.0 109.294 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.674 HG22 ' O2D' ' A' ' 158' ' ' HEC . 32.3 mm -116.86 110.65 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 10.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -172.56 -70.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 10.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -167.3 65.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 10.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.58 -72.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 10.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.8 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -77.51 -35.08 53.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 10.0 109.993 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.579 ' HB1' ' CMD' ' A' ' 158' ' ' HEC . . . -62.45 -11.76 17.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 10.0 109.237 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -122.2 7.63 9.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 10.0 109.576 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 47' ' ' ASP . 16.6 mtpt -137.18 -119.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 10.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.508 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -37.2 -71.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.399 1.062 . . . . 10.0 109.259 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -31.82 -76.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.454 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 62.1 m -91.26 -132.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 10.0 108.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' CYS . 1.6 mmtt 37.32 32.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 10.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 52' ' ' CYS . 10.9 t -152.53 166.21 32.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 10.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.616 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 10.9 t 34.82 71.9 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 10.0 108.294 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 6.7 m-70 178.69 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 10.0 109.634 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.925 ' HA ' HG21 ' A' ' 60' ' ' THR . 25.1 mtmt -40.17 -31.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 10.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -111.76 -66.46 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.075 . . . . 10.0 109.963 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -53.73 157.57 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 10.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.26 -71.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 10.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 132.31 -69.07 0.54 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.491 1.119 . . . . 10.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 121.0 6.3 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.522 1.801 . . . . 10.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.925 HG21 ' HA ' ' A' ' 54' ' ' LYS . 80.8 p -115.48 -39.87 3.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 10.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -73.12 -149.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 10.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.714 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 0.5 OUTLIER -54.19 168.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 10.0 108.3 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 49.85 31.28 16.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.432 1.083 . . . . 10.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.78 -62.15 0.65 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.923 -0.871 . . . . 10.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.392 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 1.2 p -108.64 -51.89 2.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.262 -1.014 . . . . 10.0 108.262 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -51.91 135.1 30.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 10.0 109.564 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.1 mt -89.24 94.84 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 10.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 10.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.575 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.454 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.714 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.14 -19.12 24.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 10.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.3 t -141.58 144.57 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 10.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.522 ' HB ' ' CD1' ' A' ' 15' ' ' PHE . 4.8 t -136.29 57.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 10.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.3 m -69.68 103.27 2.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 10.0 110.347 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.478 ' HB2' HG22 ' A' ' 13' ' ' VAL . 46.6 m-85 -81.9 119.95 24.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 10.0 111.085 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -97.53 128.67 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 10.0 110.352 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -136.28 177.33 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 10.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -19.46 52.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.48 52.27 0.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 10.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.65 -141.7 15.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.535 1.147 . . . . 10.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.3 p30 174.01 128.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 0.739 . . . . 10.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.478 HG22 ' HB2' ' A' ' 6' ' ' TYR . 2.8 m -85.92 132.0 33.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.155 . . . . 10.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.638 ' O ' HG22 ' A' ' 14' ' ' THR . 18.0 m -89.04 38.85 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 10.0 110.317 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.673 ' CD2' HBB2 ' A' ' 128' ' ' HEC . 20.2 t80 -43.93 155.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 10.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.753 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 3.6 m-20 -141.22 150.68 42.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 10.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -109.99 -52.01 2.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 10.0 109.642 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.04 -37.13 13.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 10.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.753 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -67.79 -24.45 65.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 10.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.592 ' CD2' HBC3 ' A' ' 98' ' ' HEC . 0.1 OUTLIER -88.52 -48.6 7.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 10.0 109.625 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.561 ' HB1' ' CBB' ' A' ' 98' ' ' HEC . . . -46.78 -53.99 10.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 10.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -50.92 -21.4 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 10.0 110.327 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.652 ' C ' HD23 ' A' ' 24' ' ' LEU . 15.9 mmmt -102.16 -28.5 12.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 10.0 109.233 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.829 HD12 HMC1 ' A' ' 98' ' ' HEC . 1.4 mt -97.72 -121.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 10.0 109.369 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 174.15 35.34 0.04 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.476 1.11 . . . . 10.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.384 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.0 OUTLIER 61.85 -74.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -42.88 -26.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 10.0 109.379 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.529 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -56.65 -39.76 74.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 10.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.427 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 61.6 m -105.81 -51.49 2.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 10.0 108.272 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.517 ' CE1' ' NA ' ' A' ' 98' ' ' HEC . 37.4 m-70 -91.52 -172.76 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 10.0 109.572 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 175.48 111.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 10.0 110.299 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.76 -62.14 0.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.108 . . . . 10.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -160.68 113.77 1.35 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 10.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.527 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.2 Cg_endo -75.05 117.97 5.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 10.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.419 ' O ' HAA1 ' A' ' 98' ' ' HEC . . . -129.98 -44.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 10.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -179.92 158.6 0.77 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 10.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.87 HD12 ' C1D' ' A' ' 98' ' ' HEC . 17.1 mt -121.85 -0.43 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.15 . . . . 10.0 109.355 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 48.34 96.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 10.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.887 HG13 HMD1 ' A' ' 98' ' ' HEC . 18.0 mm -119.48 135.84 58.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 10.0 109.236 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.96 -69.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.082 . . . . 10.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -178.4 52.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.505 1.128 . . . . 10.0 109.353 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.94 -79.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 10.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.77 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -50.74 -49.4 57.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 10.0 110.023 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.619 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -57.23 -17.11 10.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 10.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -101.02 0.74 38.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 10.0 109.544 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -109.53 -157.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 10.0 109.231 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.8 OUTLIER -47.97 -29.65 3.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 10.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.12 -61.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 10.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 51' ' ' THR . 88.7 m -122.51 -102.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 10.0 108.362 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER 35.51 -93.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 10.0 109.308 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.558 ' N ' ' O ' ' A' ' 49' ' ' CYS . 37.5 p -39.82 -66.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 38.1 t -49.73 95.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 10.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.538 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER 160.29 -29.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 10.0 109.615 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -76.65 55.95 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 10.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.4 t -137.04 -69.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 10.0 109.984 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -87.2 -64.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 10.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -87.8 -178.65 6.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.39 65.34 0.53 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.434 1.084 . . . . 10.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 54.55 3.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 10.0 111.01 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.5 m -65.38 -61.7 1.96 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 10.0 110.459 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 62' ' ' CYS . 1.8 ptmt -75.86 153.52 36.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 10.0 109.364 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.668 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 83.6 m -41.62 -53.01 3.66 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.464 1.103 . . . . 10.0 108.216 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 62' ' ' CYS . . . -36.78 -32.07 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.137 . . . . 10.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -47.55 -75.61 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.923 -0.871 . . . . 10.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.474 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 9.1 m -76.78 -58.09 3.48 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.247 -1.02 . . . . 10.0 108.247 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.634 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 30.5 m-70 -78.05 91.08 4.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 10.0 109.588 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.6 mm -56.66 90.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.441 1.088 . . . . 10.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 66' ' ' HIS . 5.9 mmtp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 10.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.427 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 0.798 HMB1 HMD3 ' A' ' 158' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.668 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.643 ' HB1' ' CG2' ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.319 -0.622 . . . . 10.0 109.319 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.411 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 0.9 OUTLIER 55.8 47.33 20.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 10.0 109.287 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 40.5 t 70.05 127.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.395 1.059 . . . . 10.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.643 ' CG2' ' HB1' ' A' ' 1' ' ' ALA . 85.0 t -122.8 152.56 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 10.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -118.16 114.83 23.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 10.0 110.358 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.518 ' CD1' ' O1D' ' A' ' 158' ' ' HEC . 29.3 m-85 -116.89 80.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 10.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.34 139.03 58.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 10.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -138.25 160.96 38.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 10.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.97 -59.69 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 10.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.443 ' HD2' HMB3 ' A' ' 158' ' ' HEC . 0.0 OUTLIER -40.82 -79.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 10.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.4 -85.56 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.567 1.167 . . . . 10.0 110.977 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 179.05 135.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 10.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG21 ' C2D' ' A' ' 158' ' ' HEC . 13.3 p -114.45 45.6 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 10.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 m -42.51 120.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 10.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.567 ' CD2' HBB3 ' A' ' 128' ' ' HEC . 5.5 m-85 -77.11 177.19 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.369 1.043 . . . . 10.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.564 ' HB2' ' CD2' ' A' ' 20' ' ' HIS . 11.9 m-20 -143.79 126.58 16.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.366 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 2.1 t-80 -122.34 -62.47 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 10.0 109.646 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -27.28 39.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 10.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -80.94 -22.08 39.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 10.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.618 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -99.46 -43.22 6.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 10.0 109.573 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.545 ' HB2' ' HHC' ' A' ' 98' ' ' HEC . . . -62.71 -12.34 23.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 10.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -72.45 -26.14 61.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.069 . . . . 10.0 110.307 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.501 ' CE ' HAD2 ' A' ' 128' ' ' HEC . 0.0 OUTLIER -118.83 -41.12 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 10.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.076 HD22 HMC1 ' A' ' 98' ' ' HEC . 10.0 mp -57.31 -79.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 10.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.439 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 120.56 16.14 4.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 10.0 111.033 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.7 OUTLIER 76.05 -61.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.276 -1.009 . . . . 10.0 108.276 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -45.87 -26.43 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 10.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.7 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -60.37 -38.68 84.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 10.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.57 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 19.0 m -104.25 -54.56 2.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 10.0 108.333 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CE1' HD11 ' A' ' 37' ' ' ILE . 61.2 m-70 -89.79 -174.64 4.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 10.0 109.579 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -176.38 100.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 10.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.48 87.53 0.2 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.413 1.071 . . . . 10.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.4 m 70.94 103.93 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 10.0 110.389 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.628 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.2 Cg_endo -75.08 168.11 25.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.788 . . . . 10.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -172.92 172.76 3.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 10.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -65.09 108.94 2.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 10.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.585 HD12 ' C2D' ' A' ' 98' ' ' HEC . 82.7 mt -72.3 164.64 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 10.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.49 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -99.57 91.44 4.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 10.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.404 HG23 ' HB2' ' A' ' 44' ' ' ALA . 2.6 mm -105.67 138.41 30.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.14 . . . . 10.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER 176.8 173.58 0.42 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 10.0 109.329 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 59.78 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 10.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -157.41 -52.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 10.0 109.346 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.775 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -103.23 -36.37 8.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 10.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.618 ' HB1' HMD2 ' A' ' 158' ' ' HEC . . . -54.94 -18.94 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 109.308 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -101.4 7.42 42.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 10.0 109.569 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -119.13 -161.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 0.7 OUTLIER -41.41 -29.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 10.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.91 -53.77 2.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 10.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' LYS . 16.9 m -121.62 -53.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 10.0 108.273 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' O ' ' C ' ' A' ' 51' ' ' THR . 4.8 mttt -33.56 -78.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 10.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.577 HG22 ' N ' ' A' ' 52' ' ' CYS . 1.2 m -27.2 -85.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 10.0 110.384 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.577 ' N ' HG22 ' A' ' 51' ' ' THR . 9.0 t -61.42 83.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 10.0 108.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.486 ' HB3' ' CG ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER 166.97 -39.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 10.0 109.62 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -83.39 69.79 10.07 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 10.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.35 -54.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 10.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.4 -66.29 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 10.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -67.36 -78.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 10.0 109.268 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.89 79.04 1.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.429 1.08 . . . . 10.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.01 7.72 2.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.506 1.793 . . . . 10.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.506 ' C ' ' O ' ' A' ' 59' ' ' PRO . 32.2 m -30.28 -64.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 10.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -65.48 144.23 57.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 10.0 109.356 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.608 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 61.7 m -50.39 -43.55 54.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 10.0 108.282 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.71 -21.0 4.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.411 1.07 . . . . 10.0 111.016 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' A' ' 59' ' ' PRO . . . -60.86 -74.05 0.42 Allowed Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.045 -0.822 . . . . 10.0 111.045 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.377 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 1.2 m -75.56 -61.83 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.234 -1.024 . . . . 10.0 108.234 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.425 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 68.4 m-70 -80.0 90.97 5.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 10.0 109.577 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.474 ' H ' HD12 ' A' ' 67' ' ' ILE . 3.8 mp -49.7 103.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 10.0 109.231 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tttt . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.119 . . . . 10.0 109.343 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.57 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 0.85 HBC3 HMC1 ' A' ' 128' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.608 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.717 ' HB1' HG22 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 65.32 78.43 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 10.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 15' ' ' PHE . 65.7 t 66.51 91.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.591 1.182 . . . . 10.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.717 HG22 ' HB1' ' A' ' 1' ' ' ALA . 29.5 t -76.71 170.01 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.385 1.053 . . . . 10.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.532 ' N ' HG12 ' A' ' 4' ' ' VAL . 4.3 m -142.06 110.27 5.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.557 1.161 . . . . 10.0 110.369 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -109.64 82.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 10.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.88 134.18 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 10.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 11' ' ' GLY . 25.0 p30 -149.75 -171.52 3.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 10.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -34.2 14.22 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 10.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -86.43 51.65 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 10.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.462 ' O ' ' ND2' ' A' ' 8' ' ' ASN . . . 64.64 135.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.445 1.091 . . . . 10.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.61 140.32 56.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 10.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 13' ' ' VAL . 5.6 p -104.17 57.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 10.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' VAL . 4.0 m -37.54 111.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 10.0 110.431 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.952 ' CZ ' HMD2 ' A' ' 98' ' ' HEC . 2.8 t80 -81.19 171.3 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.503 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 4.9 m-20 -137.94 122.2 18.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 10.0 109.311 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.444 ' CE1' ' NB ' ' A' ' 98' ' ' HEC . 1.8 t-80 -113.3 -47.61 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 10.0 109.551 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -87.11 -58.59 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 10.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.1 -29.8 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 10.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.775 ' HD1' HBC3 ' A' ' 98' ' ' HEC . 0.0 OUTLIER -75.85 -50.47 15.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 10.0 109.605 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB1' HBB1 ' A' ' 98' ' ' HEC . . . -60.83 -32.23 71.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 10.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -46.12 -44.27 15.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 10.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -104.27 -30.4 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 10.0 109.227 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.769 ' CD2' HBC2 ' A' ' 128' ' ' HEC . 1.7 mp -93.94 -115.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 10.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.705 ' O ' HMC3 ' A' ' 98' ' ' HEC . . . 164.42 -161.98 34.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 10.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.381 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.2 OUTLIER -100.58 -27.96 13.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.361 -0.977 . . . . 10.0 108.361 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.37 -13.26 59.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 10.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.82 -48.69 65.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 10.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.591 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 26.5 m -103.07 -42.05 5.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 10.0 108.31 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.528 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 2.5 m-70 -102.23 -142.88 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 10.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.68 -160.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 10.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -49.23 -22.08 3.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 10.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.1 m -150.98 106.84 3.02 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 10.0 110.354 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.7 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.5 Cg_endo -74.93 -163.17 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 10.0 111.088 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.427 ' O ' HAA1 ' A' ' 98' ' ' HEC . . . 179.55 -55.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 10.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -179.69 171.77 1.17 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 10.0 109.339 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.0 mt -146.13 145.4 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 10.0 109.298 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.18 109.9 20.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 10.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.577 HG13 HMD1 ' A' ' 98' ' ' HEC . 10.7 mm -118.21 139.28 46.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 10.0 109.228 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 42' ' ' LYS . 19.9 p-10 175.83 160.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 10.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.34 70.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 10.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -170.48 -51.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 10.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.614 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 6.0 m -103.76 -34.97 8.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 10.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.91 -16.98 20.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 10.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -100.21 -1.42 36.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 10.0 109.555 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.14 -155.61 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 10.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.43 -23.89 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 10.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -41.03 -65.17 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 10.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.84 -70.58 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 10.0 108.286 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.46 100.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 10.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 179.91 -42.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.07 . . . . 10.0 110.361 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.45 -47.58 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 10.0 108.297 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.577 ' CE1' ' HD2' ' A' ' 59' ' ' PRO . 8.5 m170 -41.4 -54.79 2.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 10.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.87 79.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 10.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' HIS . 3.0 t 174.97 -34.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 10.0 110.016 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -136.78 171.71 14.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 10.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -50.95 121.52 6.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 10.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 173.69 179.78 44.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 10.0 111.075 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.577 ' HD2' ' CE1' ' A' ' 53' ' ' HIS . 18.4 Cg_endo -74.96 117.74 5.02 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.519 1.799 . . . . 10.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.1 m -119.29 -52.85 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 1.182 . . . . 10.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -111.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.484 ' HB2' HBB1 ' A' ' 158' ' ' HEC . 37.9 t -138.32 -54.7 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 10.0 108.295 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.9 58.93 0.75 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 10.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.56 -52.34 0.07 OUTLIER Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.031 -0.828 . . . . 10.0 111.031 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.467 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 71.3 m -81.75 -55.2 4.78 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.258 -1.015 . . . . 10.0 108.258 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.53 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 52.4 m-70 -80.98 119.66 23.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 10.0 109.647 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 6.5 mt -100.39 119.33 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 10.0 109.283 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 10.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.591 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 0.789 HBB3 ' CE2' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.467 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.539 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 3.6 m-20 86.32 -15.66 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 10.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.9 172.75 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 10.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 4' ' ' VAL . 24.5 t -142.13 72.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 10.0 109.346 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.5 m -43.96 155.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 10.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.565 ' CD1' ' O1D' ' A' ' 158' ' ' HEC . 0.3 OUTLIER -161.75 38.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 10.0 111.026 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.39 160.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 10.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.05 158.16 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 10.0 109.317 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -60.16 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 10.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.92 -72.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 10.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.01 -102.92 0.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 10.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -178.18 141.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 0.725 . . . . 10.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.588 HG21 ' C2D' ' A' ' 158' ' ' HEC . 8.7 p -127.64 64.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 10.0 109.304 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -58.25 116.69 3.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 10.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CD2' HBB3 ' A' ' 128' ' ' HEC . 10.4 m-85 -76.25 -172.34 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 10.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.928 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -154.64 116.45 4.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 10.0 109.349 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -94.52 -54.58 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 10.0 109.582 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -83.08 -41.25 18.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 10.0 109.298 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.928 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -53.93 -29.25 41.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.648 ' HB3' HD13 ' A' ' 24' ' ' LEU . 12.5 m170 -98.06 -64.75 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 10.0 109.601 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -37.02 -38.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 10.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.01 -38.8 3.72 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 10.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.789 ' HD2' HMD2 ' A' ' 128' ' ' HEC . 0.0 OUTLIER -110.07 -55.98 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 10.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.112 HD22 HMC1 ' A' ' 98' ' ' HEC . 9.2 mp -39.21 -78.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 10.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 121.53 10.4 6.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 10.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.721 ' SG ' ' HAB' ' A' ' 98' ' ' HEC . 1.8 m 81.79 -53.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.241 -1.022 . . . . 10.0 108.241 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -68.61 60.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 10.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.51 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -135.4 -49.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 10.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.401 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 0.1 OUTLIER -111.94 -17.27 12.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.075 . . . . 10.0 108.267 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -100.62 -172.9 2.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 10.0 109.664 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.88 116.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 10.0 110.25 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.07 95.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 10.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.4 m 67.37 104.45 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 10.0 110.411 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.596 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.1 Cg_endo -75.02 124.59 8.73 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.801 . . . . 10.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.79 168.17 20.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 10.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.6 116.06 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 10.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.0 mt -83.58 145.01 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 10.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.35 86.28 3.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 10.0 109.28 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.625 HG13 HMD1 ' A' ' 98' ' ' HEC . 6.6 mm -104.46 141.76 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 10.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 42' ' ' LYS . 4.3 p-10 171.56 165.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 10.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 42' ' ' LYS . 3.4 ttpt -55.0 86.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 10.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER 176.9 -53.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 10.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.725 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -105.67 -36.8 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 10.0 109.985 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.633 ' HB1' HMD2 ' A' ' 158' ' ' HEC . . . -56.19 -18.65 10.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 10.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.435 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 13.8 m170 -97.96 3.61 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -114.75 -164.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 10.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.507 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 4.6 t0 -40.89 -28.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 10.0 109.338 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -38.09 -57.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 10.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 50' ' ' LYS . 92.8 m -122.45 -50.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 10.0 108.31 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 49' ' ' CYS . 1.4 mmtp -34.13 -73.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 10.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.507 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 1.4 m -34.71 -80.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 10.0 110.384 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 8.9 t -59.42 101.09 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 10.0 108.255 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 59' ' ' PRO . 0.6 OUTLIER 160.38 -45.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 10.0 109.607 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.2 pttt -75.18 59.03 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 10.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -131.28 -52.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 10.0 110.009 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.0 -66.83 0.97 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.51 1.131 . . . . 10.0 109.321 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.454 ' ND2' ' CGD' ' A' ' 128' ' ' HEC . 70.2 m-20 -101.24 -59.22 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 10.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.32 69.3 1.41 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.13 . . . . 10.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.553 ' HG2' ' CE1' ' A' ' 53' ' ' HIS . 18.4 Cg_endo -75.05 56.38 4.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.783 . . . . 10.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.441 ' HA ' ' CMC' ' A' ' 158' ' ' HEC . 44.6 p -110.39 63.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 10.0 110.422 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 63' ' ' GLY . 4.4 pttt -159.87 43.71 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 10.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.681 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 0.9 OUTLIER 68.25 -73.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 10.0 108.27 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -49.15 -23.26 3.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 10.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.94 -74.29 0.34 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.037 -0.825 . . . . 10.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.387 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 0.3 OUTLIER -91.69 -68.36 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.271 -1.011 . . . . 10.0 108.271 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -51.9 150.01 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 10.0 109.629 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.1 mm -123.45 138.85 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 10.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 10.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.721 ' HAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 0.849 HBC3 HMC1 ' A' ' 128' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.681 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.813 ' O ' HG23 ' A' ' 3' ' ' VAL . 2.6 p-10 -59.53 -12.31 6.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 10.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 2' ' ' ASP . 2.3 t -164.81 142.34 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 10.0 109.36 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 4' ' ' VAL . 89.0 t -130.88 70.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 10.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 m -74.93 93.67 2.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 10.0 110.433 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.473 ' CG ' HBD2 ' A' ' 158' ' ' HEC . 23.3 m-85 -65.49 120.34 12.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 10.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -100.22 113.96 27.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 10.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -125.94 -175.25 3.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 10.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -101.6 38.54 1.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 10.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.85 -64.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 10.0 109.368 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 12' ' ' ASN . . . -152.83 -44.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.523 1.139 . . . . 10.0 110.981 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER 82.44 120.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 0.785 . . . . 10.0 109.261 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 6' ' ' TYR . 5.5 m -91.18 136.22 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 10.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.613 ' O ' HG22 ' A' ' 14' ' ' THR . 12.8 m -92.19 50.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 110.415 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.712 ' CE1' HBB2 ' A' ' 128' ' ' HEC . 53.1 t80 -42.49 166.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 10.0 110.989 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.834 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 3.6 m-20 -149.74 129.63 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 10.0 109.242 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.451 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -102.0 -45.96 5.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.379 1.049 . . . . 10.0 109.573 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -32.5 21.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 10.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.834 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -69.76 -33.48 72.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 10.0 109.232 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.568 ' CE1' ' CHA' ' A' ' 128' ' ' HEC . 0.4 OUTLIER -85.36 -57.3 3.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 10.0 109.608 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 22' ' ' GLU . . . -39.99 -59.95 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 10.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 21' ' ' ALA . 17.5 pt-20 -33.44 -39.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 10.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -96.43 -64.32 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 10.0 109.342 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.051 HD22 HMC1 ' A' ' 98' ' ' HEC . 8.3 mp -45.45 -79.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 10.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.439 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 121.03 15.12 4.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.379 1.049 . . . . 10.0 110.959 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' HIS . 1.0 OUTLIER 77.14 -63.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.254 -1.017 . . . . 10.0 108.254 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -44.66 -25.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 10.0 109.209 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.682 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -58.95 -43.49 91.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 10.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.402 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 33.4 m -102.66 -50.15 3.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 10.0 108.315 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 36.3 m-70 -99.65 -151.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 10.0 109.638 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' CG ' ' N ' ' A' ' 32' ' ' GLY . 1.2 pt-20 -156.35 -142.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 10.0 110.27 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.439 ' N ' ' CG ' ' A' ' 31' ' ' GLU . . . -54.89 -28.76 48.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 10.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -143.22 106.87 5.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 10.0 110.365 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.658 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -75.04 -172.74 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.533 1.807 . . . . 10.0 111.053 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 166.48 166.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 10.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -65.32 110.51 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 10.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.9 mt -82.52 -11.21 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 10.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 60.4 90.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 10.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.879 HG23 ' HB2' ' A' ' 44' ' ' ALA . 4.8 mm -98.04 125.06 51.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 10.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.2 m-20 155.33 154.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 10.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 40' ' ' ASP . 14.0 mttm 82.21 -150.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 10.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.25 50.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 10.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.712 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 49.1 m -128.49 -60.66 1.11 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 10.0 109.987 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.879 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -56.61 -17.88 10.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 10.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.618 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 22.4 m170 -96.52 -0.71 48.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 10.0 109.638 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 48' ' ' ALA . 6.5 mttt -109.0 -163.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 10.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.477 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 8.9 p-10 -45.21 -24.46 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 10.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.712 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.48 -53.98 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 10.0 109.339 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.507 ' O ' ' C ' ' A' ' 50' ' ' LYS . 69.7 m -125.38 -53.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 10.0 108.313 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 49' ' ' CYS . 1.2 mttt -32.25 -71.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.603 1.189 . . . . 10.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.477 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 1.2 m -35.44 -70.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 10.0 110.418 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 1.1 t -75.49 81.76 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 10.0 108.314 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.45 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.7 OUTLIER 166.41 -31.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 10.0 109.659 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -61.1 -45.17 95.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 10.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 99.8 p -92.07 43.56 1.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 10.0 110.018 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.92 -172.7 2.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 10.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -124.72 122.09 36.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.12 -125.91 4.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.561 1.163 . . . . 10.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.484 ' C ' HG22 ' A' ' 60' ' ' THR . 18.3 Cg_endo -74.92 143.67 29.61 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.447 1.761 . . . . 10.0 111.042 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.484 HG22 ' C ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER 170.58 -31.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 10.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 63' ' ' GLY . 30.6 pttt -79.98 52.92 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 10.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.526 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 44.6 t 64.88 -75.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 10.0 108.349 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -67.22 60.66 0.24 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.545 1.153 . . . . 10.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.476 ' CA ' ' HB3' ' A' ' 59' ' ' PRO . . . -129.84 -53.61 0.1 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.972 -0.851 . . . . 10.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.39 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 2.7 m -81.64 -41.87 20.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.334 -0.987 . . . . 10.0 108.334 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.509 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 59.7 m-70 -95.98 94.42 7.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 10.0 109.686 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 tt -67.39 178.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 10.0 109.226 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 10.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.402 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 0.899 HMB3 ' HAC' ' A' ' 158' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.526 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.466 ' N ' ' ND1' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -168.78 -42.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 10.0 109.238 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 3' ' ' VAL . 7.5 p -174.03 74.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 10.0 109.317 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.1 t -56.63 157.43 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 10.0 109.263 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -135.71 125.41 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 10.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -124.26 88.38 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.428 1.08 . . . . 10.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.06 134.72 36.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 2.8 p30 -134.53 -176.33 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 10.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -62.65 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 10.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.17 -86.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 10.0 109.371 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -148.96 122.95 1.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.573 1.171 . . . . 10.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -45.28 146.79 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 0.722 . . . . 10.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.686 HG11 HBD2 ' A' ' 158' ' ' HEC . 13.0 p -125.66 52.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 10.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -47.92 116.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 10.0 110.416 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.774 ' CD1' HBB3 ' A' ' 128' ' ' HEC . 61.3 m-85 -75.18 -172.15 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 10.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.505 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 56.0 m-20 -149.65 125.28 10.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 10.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.466 ' ND1' ' N ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -109.59 -63.05 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 10.0 109.562 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.54 -47.69 18.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 10.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.508 ' O ' ' CG ' ' A' ' 22' ' ' GLU . . . -58.12 -27.49 63.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 10.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.505 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -90.38 -53.49 4.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 10.0 109.557 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 23' ' ' LYS . . . -42.17 -50.01 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 10.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -41.67 -27.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 21' ' ' ALA . 15.5 mmtm -106.11 -54.81 2.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 10.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.044 HD22 HMC1 ' A' ' 98' ' ' HEC . 6.0 mp -61.32 -106.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 10.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.528 ' O ' ' CB ' ' A' ' 26' ' ' CYS . . . 158.51 -47.15 0.44 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.451 1.094 . . . . 10.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.533 ' SG ' ' CMB' ' A' ' 98' ' ' HEC . 1.3 m 156.45 -66.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.327 -0.99 . . . . 10.0 108.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.454 ' HA ' ' O ' ' A' ' 30' ' ' HIS . 0.7 OUTLIER -41.07 -28.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 10.0 109.351 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.811 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -39.47 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 10.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.484 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -100.52 -22.02 15.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.454 ' O ' ' HA ' ' A' ' 27' ' ' ASP . 86.2 m-70 -107.11 -160.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 10.0 109.608 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -148.81 -149.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 10.0 110.268 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.77 -18.95 54.5 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 10.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.3 m -154.84 109.13 2.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 10.0 110.438 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.921 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.3 Cg_endo -74.97 -163.63 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 10.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 171.34 -57.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 10.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.07 156.56 1.04 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 10.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.546 HD12 ' C1D' ' A' ' 98' ' ' HEC . 36.3 mt -130.16 146.05 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 10.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.5 106.72 19.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 10.0 109.292 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.723 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 8.1 mm -116.16 121.27 67.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 10.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.53 172.18 12.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 10.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -70.37 60.43 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 10.0 109.366 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.32 -49.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 10.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.755 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -107.62 -36.45 6.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.596 1.185 . . . . 10.0 110.03 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.505 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -56.32 -18.43 10.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 10.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -99.64 5.58 45.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 10.0 109.64 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 48' ' ' ALA . 1.3 mmtt -116.77 -165.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 10.0 109.278 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.484 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 73.0 m-20 -39.46 -29.49 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 10.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.52 -57.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.179 . . . . 10.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 50' ' ' LYS . 57.3 m -120.42 -51.59 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 10.0 108.351 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -33.74 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 10.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.484 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 1.5 m -32.92 -75.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 10.0 110.35 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 2.6 t -71.62 85.53 0.89 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 10.0 108.335 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.473 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER 165.19 -46.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 10.0 109.613 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.18 67.77 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 10.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.7 t -173.39 -60.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 10.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -88.68 -177.66 5.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 10.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -59.84 104.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 10.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.61 -155.43 8.2 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 10.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 162.78 36.54 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.447 1.762 . . . . 10.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 178.99 -35.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 10.0 110.361 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -91.41 36.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 10.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.7 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 42.6 t 41.98 87.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 108.323 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.23 -31.71 0.65 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.608 1.192 . . . . 10.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.24 -35.81 3.87 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.676 ' SG ' HMB3 ' A' ' 128' ' ' HEC . 0.8 OUTLIER -93.36 -45.03 8.0 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.337 -0.986 . . . . 10.0 108.337 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.58 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 19.1 m-70 -97.12 102.61 14.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.407 1.067 . . . . 10.0 109.638 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 mt -70.9 96.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.6 tptt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 10.0 109.286 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.484 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 0.831 HBC3 HMC1 ' A' ' 128' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.7 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.928 ' H3 ' ' HD1' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 t0 168.86 -51.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 10.0 109.269 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 15' ' ' PHE . 14.4 p -164.98 146.68 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 10.0 109.241 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.829 HG11 ' CGD' ' A' ' 98' ' ' HEC . 56.0 t -137.04 64.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.421 1.075 . . . . 10.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.699 ' OG1' HG23 ' A' ' 14' ' ' THR . 17.2 m -61.19 153.8 25.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 10.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -134.3 168.29 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 10.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -122.34 120.13 33.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 10.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -106.82 178.67 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 10.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -41.1 17.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 10.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.48 51.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.396 1.06 . . . . 10.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.93 -153.85 16.63 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.429 1.08 . . . . 10.0 110.96 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -151.66 131.85 13.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 10.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.429 ' CG2' HMB2 ' A' ' 128' ' ' HEC . 7.3 p -100.08 126.89 53.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 10.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.699 HG23 ' OG1' ' A' ' 5' ' ' THR . 19.9 m -101.4 133.32 46.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 10.0 110.357 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.571 ' CE2' HBB3 ' A' ' 128' ' ' HEC . 7.1 m-85 -98.06 -178.57 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 10.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.978 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 62.9 m-20 -156.55 111.03 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 10.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.928 ' HD1' ' H3 ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -92.59 -49.33 6.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 10.0 109.623 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -44.82 12.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 10.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.978 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -52.41 -29.14 22.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 10.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.648 ' CE1' ' C4D' ' A' ' 128' ' ' HEC . 0.6 OUTLIER -94.27 -57.43 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 10.0 109.558 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -40.65 -50.9 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 10.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -38.03 -30.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 10.0 110.376 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -102.36 -53.51 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 10.0 109.287 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.992 HD23 ' HB3' ' A' ' 28' ' ' ALA . 5.4 mp -65.23 -102.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 10.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 26' ' ' CYS . . . 130.51 43.32 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 10.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.389 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.0 OUTLIER 51.37 102.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.356 -0.979 . . . . 10.0 108.356 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 163.41 -29.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 10.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.992 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -74.25 -27.06 60.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 10.0 109.353 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.39 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 5.2 m -113.75 -47.92 2.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 10.0 108.326 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' CE1' HD11 ' A' ' 37' ' ' ILE . 16.9 m-70 -99.92 178.67 4.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 10.0 109.635 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 170.88 74.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 10.0 110.257 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.7 -48.78 0.95 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 10.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.7 m -147.35 106.5 3.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.736 . . . . 10.0 110.449 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.624 ' O ' HMA3 ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.96 86.17 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.57 1.826 . . . . 10.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.401 ' C ' HAA1 ' A' ' 98' ' ' HEC . . . -111.31 179.77 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 10.0 109.351 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.425 ' N ' HAA1 ' A' ' 98' ' ' HEC . 0.0 OUTLIER -70.6 113.14 7.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.716 HD12 ' C2D' ' A' ' 98' ' ' HEC . 41.0 mt -76.07 159.95 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 10.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -99.82 91.92 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 10.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.792 HG23 ' HB2' ' A' ' 44' ' ' ALA . 11.1 mm -104.29 133.03 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 10.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER 173.15 163.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 10.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -31.69 134.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 10.0 109.257 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 13.9 tttm 91.29 -68.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -57.12 -65.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 10.0 109.97 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.792 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -55.23 -18.0 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 10.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -95.17 8.43 43.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 10.0 109.638 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' SER . 7.0 ttpt -120.5 -149.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 10.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -39.68 -43.65 1.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -32.26 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 10.0 109.244 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.647 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 85.7 m -107.91 -104.01 0.35 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 10.0 108.313 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER 39.48 -90.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 10.0 109.334 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.584 ' N ' ' O ' ' A' ' 49' ' ' CYS . 7.7 t -38.88 -53.41 1.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 10.0 110.361 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.508 ' N ' ' CG2' ' A' ' 51' ' ' THR . 0.0 OUTLIER -53.89 165.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 10.0 108.282 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.566 ' CE1' ' C1B' ' A' ' 128' ' ' HEC . 35.9 m80 72.32 -58.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.599 1.187 . . . . 10.0 109.508 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -62.98 77.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 10.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER 177.08 -50.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 10.0 110.011 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -99.08 -73.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 10.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.446 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 2.9 t30 -179.93 160.46 0.89 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.525 1.141 . . . . 10.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.446 ' N ' ' CG ' ' A' ' 57' ' ' ASN . . . 127.89 -132.96 7.62 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 10.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 18.3 Cg_endo -75.02 110.51 3.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 10.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t -129.8 -43.9 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 10.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -61.5 -119.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 10.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.749 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 18.1 t -102.22 -76.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 10.0 108.357 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . -60.05 -82.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 10.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.19 -60.28 0.09 OUTLIER Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.708 ' SG ' ' HAC' ' A' ' 158' ' ' HEC . 0.0 OUTLIER -86.03 -54.16 4.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.458 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 78.3 m-70 -63.14 129.79 41.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.109 . . . . 10.0 109.564 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.4 mm -87.45 75.26 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 10.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.7 pttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 10.0 109.31 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.39 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.647 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.749 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.989 ' O ' HG23 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.513 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 0.6 OUTLIER 42.14 33.81 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 10.0 109.337 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.735 HG12 ' O ' ' A' ' 3' ' ' VAL . 4.5 t 65.97 76.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 10.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.989 HG23 ' O ' ' A' ' 1' ' ' ALA . 5.1 t -98.92 163.75 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 10.0 109.218 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.495 ' N ' ' CG1' ' A' ' 4' ' ' VAL . 5.3 m -143.57 93.48 2.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 10.0 110.367 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.666 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 24.3 m-85 -68.95 161.29 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 10.0 111.006 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' ASN . 11.4 mt-10 -139.91 41.66 1.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 10.0 110.37 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 7' ' ' GLU . 9.4 p30 -47.38 173.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 10.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -90.76 18.05 6.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 10.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.79 51.16 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 10.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.02 -132.32 10.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 10.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -175.16 146.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 10.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.531 HG11 ' C2D' ' A' ' 158' ' ' HEC . 4.3 p -131.9 91.28 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 10.0 109.388 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -68.15 130.29 42.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 10.0 110.398 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.824 ' CZ ' HMD1 ' A' ' 158' ' ' HEC . 5.5 m-85 -97.89 165.62 11.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 10.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.608 ' O ' HBC3 ' A' ' 98' ' ' HEC . 30.9 m-20 -140.17 121.97 15.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 10.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.581 ' CE1' ' C4B' ' A' ' 98' ' ' HEC . 6.0 t-80 -128.93 -63.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 10.0 109.609 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -38.05 89.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 10.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.79 -44.92 19.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 10.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.631 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.88 -46.06 86.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 10.0 109.608 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.513 ' HB1' HBB2 ' A' ' 98' ' ' HEC . . . -42.94 -57.23 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 10.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -45.2 -25.56 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 10.0 110.25 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' HIS . 5.6 tttt -106.77 -76.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 10.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.063 HD22 HMC1 ' A' ' 98' ' ' HEC . 9.1 mp -34.69 -86.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 10.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 124.36 31.68 0.89 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.458 1.098 . . . . 10.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.481 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 65.1 -75.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.355 -0.98 . . . . 10.0 108.355 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 25' ' ' GLY . 5.2 m-20 -34.56 -40.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 10.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.866 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -39.97 -38.74 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 10.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.579 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 1.8 m -111.35 -60.02 1.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 10.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.546 ' CE1' HD11 ' A' ' 37' ' ' ILE . 14.5 m-70 -84.57 -159.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 10.0 109.679 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 30' ' ' HIS . 1.2 tt0 172.52 118.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 10.0 110.27 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.03 -58.52 5.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 10.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.1 m -148.81 108.34 3.5 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 10.0 110.424 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.566 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.3 Cg_endo -74.97 160.4 40.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 10.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -178.08 162.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 10.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.62 125.07 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 10.0 109.32 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.546 HD11 ' CE1' ' A' ' 30' ' ' HIS . 45.3 mt -95.76 -10.65 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 10.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 37' ' ' ILE . . . 73.07 100.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 10.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.628 HG21 ' CE2' ' A' ' 15' ' ' PHE . 20.1 mm -116.19 129.63 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 10.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -160.08 -75.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 10.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.85 76.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 10.0 109.351 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 173.76 -68.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 10.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.645 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -67.65 -43.91 79.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 10.0 109.957 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.453 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -58.3 -17.16 17.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 10.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -98.6 -2.12 39.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 10.0 109.639 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -104.2 -161.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 10.0 109.356 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 48' ' ' ALA . 9.8 t70 -41.53 -28.84 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 10.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.57 -70.29 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 10.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.67 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 0.1 OUTLIER -102.74 -64.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 10.0 108.315 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HG2' HBC2 ' A' ' 158' ' ' HEC . 4.3 mttt -54.64 90.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 10.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER 176.54 -59.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 10.0 110.422 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 1.425 ' SG ' ' CAC' ' A' ' 128' ' ' HEC . 0.3 OUTLIER -88.83 -52.5 5.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 10.0 108.294 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.578 ' CE1' ' C1B' ' A' ' 128' ' ' HEC . 0.0 OUTLIER -44.59 -40.82 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 10.0 109.642 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -78.13 80.76 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 10.0 109.229 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.05 -46.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 10.0 110.0 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -104.99 -87.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 10.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -53.47 -33.49 54.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 10.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' HD3' ' A' ' 59' ' ' PRO . . . 59.65 62.89 5.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.466 1.104 . . . . 10.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.0 1.26 7.94 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.787 . . . . 10.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' PRO . 3.3 m -37.2 -69.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 10.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.63 136.96 54.6 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 10.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.677 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 0.6 OUTLIER -41.69 153.99 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 10.0 108.256 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.63 -24.69 26.72 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 10.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.2 -44.25 89.0 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.04 -0.824 . . . . 10.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.408 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 59.7 m -113.75 -63.23 1.48 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.277 -1.008 . . . . 10.0 108.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.632 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 36.3 m-70 -77.12 100.81 5.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 10.0 109.577 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 67' ' ' ILE . 8.9 mt -89.06 66.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 10.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.17 . . . . 10.0 109.295 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.579 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.67 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.677 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 10.0 109.328 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' A' ' 18' ' ' LYS . 9.9 t0 69.22 -55.86 0.56 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.545 1.153 . . . . 10.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 15' ' ' PHE . 7.7 p -135.46 123.16 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 10.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.416 HG12 ' CE2' ' A' ' 6' ' ' TYR . 22.8 t -106.81 79.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 10.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -75.96 117.67 17.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 10.0 110.373 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.477 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 10.2 m-85 -111.94 104.22 12.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 10.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -60.35 117.4 5.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 10.0 110.364 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -98.6 -176.06 3.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 10.0 109.234 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -58.92 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 10.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -114.39 64.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.74 -170.19 31.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 10.0 111.054 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -161.31 106.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 10.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.771 HG11 ' O1D' ' A' ' 158' ' ' HEC . 8.3 p -85.3 123.07 39.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 10.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.509 ' O ' HG22 ' A' ' 14' ' ' THR . 19.5 m -103.25 58.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 10.0 110.437 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 1.16 ' CE1' HBB2 ' A' ' 128' ' ' HEC . 0.9 OUTLIER -45.48 164.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 10.0 111.017 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.702 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 45.5 m-20 -138.79 133.99 32.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 10.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -107.43 -42.61 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 10.0 109.61 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.482 ' CB ' ' HA ' ' A' ' 2' ' ' ASP . 26.1 tttm -99.33 -28.48 13.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 10.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.702 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -72.47 -31.4 65.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 10.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.522 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -87.38 -53.07 5.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 10.0 109.649 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -38.39 -31.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 10.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' HIS . 2.4 mt-10 -53.21 -55.08 27.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 10.0 110.33 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' HIS . 6.9 mmtp -86.86 -54.9 4.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 10.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.049 HD22 HMC1 ' A' ' 98' ' ' HEC . 7.2 mp -48.97 -82.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 10.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 118.89 21.55 3.82 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 10.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 m 69.41 -67.2 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.308 -0.997 . . . . 10.0 108.308 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 25' ' ' GLY . 4.9 m-20 -44.85 -29.53 0.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 10.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.754 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -53.14 -36.5 60.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 10.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.644 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 57.1 m -110.43 -56.37 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 10.0 108.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -84.21 -176.72 6.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 10.0 109.675 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.2 101.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 10.0 110.294 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.04 87.93 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 10.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.4 m 71.69 104.27 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.493 0.761 . . . . 10.0 110.42 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.656 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.93 165.5 31.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 10.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -166.31 -174.08 2.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 10.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 1.4 pttt -83.3 105.47 14.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 10.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 38' ' ' ALA . 46.2 mt -75.99 166.81 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 10.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.51 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -60.05 -118.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 10.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.903 ' CD1' HBB1 ' A' ' 128' ' ' HEC . 0.9 OUTLIER 69.06 136.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 10.0 109.364 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER 162.22 -51.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 10.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' A' ' 43' ' ' SER . 15.5 mttt -135.06 -131.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 10.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -39.55 -30.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 10.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.77 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 5.3 m -55.63 -61.76 2.14 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.494 1.121 . . . . 10.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.777 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -58.48 -15.52 11.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 10.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -95.96 -3.85 44.37 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 10.0 109.598 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.7 -164.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 10.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.9 OUTLIER -46.61 -25.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 10.0 109.34 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -39.96 -56.19 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 10.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.413 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 4.4 t -108.56 -70.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 10.0 108.375 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -46.13 97.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 10.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.6 OUTLIER -178.14 -44.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 10.0 110.385 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.6 t -121.26 59.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 10.0 108.281 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -146.3 -45.48 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 10.0 109.623 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.33 77.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 10.0 109.359 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -164.86 -55.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 10.0 110.03 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -117.18 -60.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 10.0 109.233 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.64 -66.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 10.0 109.378 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 54.07 100.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.516 1.135 . . . . 10.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 61' ' ' LYS . 18.2 Cg_endo -75.06 -93.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.809 . . . . 10.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.5 m 69.09 -57.63 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 10.0 110.473 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 59' ' ' PRO . 7.8 mttt -74.85 -0.32 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 10.0 109.229 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.431 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 0.1 OUTLIER 82.83 -53.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 10.0 108.255 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 64' ' ' GLY . . . -40.68 -26.64 0.14 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 10.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 62' ' ' CYS . . . -35.35 -65.81 0.41 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.018 -0.833 . . . . 10.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.1 p -117.84 -53.86 2.37 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.248 -1.019 . . . . 10.0 108.248 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.573 ' CE1' ' C1D' ' A' ' 158' ' ' HEC . 0.2 OUTLIER -63.62 114.45 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 10.0 109.619 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.597 HG23 ' O ' ' A' ' 67' ' ' ILE . 13.7 tt -55.34 102.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 10.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 10.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.644 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.413 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.431 ' CAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.574 ' H2 ' ' CB ' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 0.1 OUTLIER 54.64 38.61 30.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 10.0 109.253 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 42.0 t 66.49 110.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 10.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.49 HG11 ' HE1' ' A' ' 6' ' ' TYR . 46.6 t -131.47 159.69 42.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 10.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 ' OG1' ' A' ' 14' ' ' THR . 93.5 m -131.65 117.88 19.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 10.0 110.429 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.49 ' HE1' HG11 ' A' ' 4' ' ' VAL . 3.3 m-85 -106.62 98.73 8.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 10.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.23 111.93 13.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 10.0 110.243 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -110.8 175.31 5.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 10.0 109.251 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -79.08 -44.87 21.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 10.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -91.59 52.07 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 10.0 109.225 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.99 -138.48 14.48 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 10.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 176.64 135.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 10.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.544 HG21 HMD3 ' A' ' 158' ' ' HEC . 8.3 p -107.67 120.21 58.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 109.305 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.498 ' OG1' HG23 ' A' ' 5' ' ' THR . 22.5 m -105.39 107.37 18.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 10.0 110.394 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.707 ' CE2' HG21 ' A' ' 39' ' ' ILE . 3.5 m-30 -67.52 154.58 41.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 10.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.893 ' O ' HBC3 ' A' ' 98' ' ' HEC . 1.2 m-20 -131.26 113.66 14.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 10.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.679 ' CE1' ' C4B' ' A' ' 98' ' ' HEC . 4.8 t-80 -117.83 -63.04 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 10.0 109.564 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.8 OUTLIER -67.3 -46.81 72.46 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.505 1.128 . . . . 10.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.36 -39.2 82.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.601 ' CD2' ' HB2' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -76.18 -62.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 10.0 109.631 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HB1' HBB2 ' A' ' 98' ' ' HEC . . . -36.68 -35.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.402 1.064 . . . . 10.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.5 mm-40 -43.35 -54.36 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 10.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -111.74 -51.27 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 10.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.794 HD22 ' HB1' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -45.69 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 10.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.822 ' O ' HMC3 ' A' ' 98' ' ' HEC . . . 137.39 -169.41 24.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.577 1.173 . . . . 10.0 110.942 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.377 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 1.8 m -89.63 -64.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.274 -1.01 . . . . 10.0 108.274 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.32 -28.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 10.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.794 ' HB1' HD22 ' A' ' 24' ' ' LEU . . . -40.12 -59.21 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 10.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.385 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.8 OUTLIER -103.24 -42.09 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 10.0 108.311 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 34' ' ' PRO . 11.4 m-70 -93.14 -153.47 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 10.0 109.617 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -154.03 -131.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 10.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.24 -11.86 68.16 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.542 1.151 . . . . 10.0 111.022 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 m -148.97 106.11 3.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 10.0 110.412 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.531 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.97 165.81 30.55 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.481 1.779 . . . . 10.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 175.04 166.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 10.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' CG ' ' H ' ' A' ' 38' ' ' ALA . 2.2 ttmt -59.85 127.52 32.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 10.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 38' ' ' ALA . 20.0 mt -96.36 32.57 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 10.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 37' ' ' ILE . . . 28.9 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 10.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.707 HG21 ' CE2' ' A' ' 15' ' ' PHE . 21.5 mm -85.05 116.64 28.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 10.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' ALA . 2.0 m-20 178.25 170.01 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 10.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' SER . 6.5 mtpp -39.14 151.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 10.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 41' ' ' LYS . 16.4 mttt 68.1 -69.01 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 10.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -53.2 -70.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 10.0 109.882 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.64 ' HB1' HMD2 ' A' ' 158' ' ' HEC . . . -56.73 -18.19 11.67 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 10.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -92.2 2.36 56.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 10.0 109.587 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 48' ' ' ALA . 2.7 mttp -111.55 -162.9 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 10.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 48' ' ' ALA . 5.5 m-20 -39.54 -29.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 10.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' LYS . . . -37.0 -63.1 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 10.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.648 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 0.1 OUTLIER -101.99 -77.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 10.0 108.273 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB2' ' CD ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -39.31 98.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 10.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' CYS . 1.6 t -176.11 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 10.0 110.435 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 53' ' ' HIS . 1.5 t -105.9 -66.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 10.0 108.367 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' CYS . 8.0 m170 -37.65 -49.15 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 10.0 109.586 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.514 ' HG2' HG23 ' A' ' 60' ' ' THR . 2.2 mtpm? -77.53 64.92 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 10.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -177.08 -48.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 10.0 109.97 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' ASN . 4.9 t30 -102.39 -62.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 10.0 109.343 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 56' ' ' ASN . 1.3 m-20 -43.17 164.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 10.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.422 ' N ' ' CD ' ' A' ' 59' ' ' PRO . . . -75.32 -55.72 5.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.094 . . . . 10.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.442 ' HB2' ' N ' ' A' ' 64' ' ' GLY . 18.4 Cg_endo -74.99 174.32 12.98 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.489 1.783 . . . . 10.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.514 HG23 ' HG2' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -141.36 -45.71 0.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 10.0 110.398 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLY . 1.6 ptpt -118.18 132.36 56.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 10.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.629 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 80.6 m 66.6 -77.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 10.0 108.275 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -50.26 -20.87 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 10.0 111.069 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.442 ' N ' ' HB2' ' A' ' 59' ' ' PRO . . . -63.54 -93.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.027 -0.829 . . . . 10.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.6 m -66.91 -59.64 3.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.316 -0.994 . . . . 10.0 108.316 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -63.14 146.26 53.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 10.0 109.591 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 67' ' ' ILE . 92.6 mt -137.96 74.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 10.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 10.0 109.254 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.385 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.648 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.629 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 163.61 -61.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 10.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.2 p -155.67 69.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 10.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.527 HG12 ' H ' ' A' ' 5' ' ' THR . 12.2 t -59.12 171.33 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 10.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.527 ' H ' HG12 ' A' ' 4' ' ' VAL . 1.6 m -151.19 166.12 31.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 10.0 110.393 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.727 ' CD2' ' CE2' ' A' ' 15' ' ' PHE . 16.4 m-85 -158.59 73.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 10.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -69.13 145.34 53.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 10.0 110.318 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 1.7 p30 -133.24 177.13 7.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 10.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -60.66 3.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.6 1.187 . . . . 10.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -46.01 -75.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 10.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -124.46 -122.02 2.63 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.443 1.09 . . . . 10.0 111.04 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t30 176.25 119.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.404 0.708 . . . . 10.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.6 ' CG2' ' CMB' ' A' ' 128' ' ' HEC . 14.6 p -90.67 169.11 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 10.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.496 ' N ' HG22 ' A' ' 13' ' ' VAL . 45.9 m -150.47 113.47 4.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 10.0 110.365 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.751 ' CD1' HBB3 ' A' ' 128' ' ' HEC . 10.0 m-30 -87.02 154.99 20.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 10.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.535 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 36.3 m-20 -127.34 126.94 43.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 10.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.446 ' CE1' ' NB ' ' A' ' 98' ' ' HEC . 0.2 OUTLIER -108.61 -55.25 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 10.0 109.615 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -94.03 -12.0 29.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 10.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.29 -27.66 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 10.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.552 ' CE1' ' CHA' ' A' ' 128' ' ' HEC . 0.1 OUTLIER -95.84 -43.26 7.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 10.0 109.616 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.12 -18.75 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 10.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.3 mm-40 -56.07 -45.9 79.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 10.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.13 -43.5 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 10.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.001 HD11 ' CHD' ' A' ' 128' ' ' HEC . 0.4 OUTLIER -65.81 -98.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 10.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.946 ' O ' HMC3 ' A' ' 98' ' ' HEC . . . 140.99 -169.27 25.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 10.0 111.006 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.395 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 1.4 m -89.94 -56.23 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.333 -0.988 . . . . 10.0 108.333 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -56.37 -18.3 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 10.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.53 -60.75 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 10.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.375 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 1.8 m -98.29 -36.68 9.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 10.0 108.331 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' CYS . 45.9 m-70 -93.23 -177.49 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 10.0 109.571 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -179.18 110.89 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 10.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.35 87.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 10.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.0 m 71.75 104.97 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 10.0 110.345 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.548 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.1 Cg_endo -75.11 160.78 39.4 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 10.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -162.81 -173.14 3.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.41 1.069 . . . . 10.0 109.337 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.94 115.58 15.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 10.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.788 HD12 ' C1D' ' A' ' 98' ' ' HEC . 42.8 mt -79.8 149.82 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 10.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.597 ' O ' ' HB ' ' A' ' 39' ' ' ILE . . . -60.13 -122.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 10.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.597 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 1.0 OUTLIER 90.54 149.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 10.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.7 OUTLIER 154.83 173.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 10.0 109.351 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.408 ' HB2' ' CAA' ' A' ' 158' ' ' HEC . 2.8 tttt -65.54 63.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 10.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 40' ' ' ASP . 2.0 tttt 174.05 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 10.0 109.268 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.641 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 5.9 t -107.0 -37.29 6.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 10.0 109.997 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.664 ' HB1' ' C2D' ' A' ' 158' ' ' HEC . . . -56.91 -18.01 11.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 10.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.513 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 18.4 m170 -99.25 -0.5 41.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 10.0 109.559 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.53 -154.87 0.52 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 10.0 109.258 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.14 -24.97 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 10.0 109.359 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.29 -71.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.558 1.162 . . . . 10.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.46 ' HB3' ' CBC' ' A' ' 158' ' ' HEC . 1.0 OUTLIER -107.55 -52.14 2.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 10.0 108.278 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 51' ' ' THR . 3.1 mtpp -61.27 96.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.628 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.8 OUTLIER 167.9 -72.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 10.0 110.385 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.628 ' N ' HG22 ' A' ' 51' ' ' THR . 1.7 t -63.69 -43.72 95.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 10.0 108.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.526 ' CD2' ' NC ' ' A' ' 128' ' ' HEC . 1.2 m-70 -59.05 -33.67 71.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 10.0 109.581 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -73.82 67.68 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 10.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.7 -73.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 10.0 110.003 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -77.47 -84.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.404 1.065 . . . . 10.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -99.67 -67.13 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 10.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 57.69 158.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 10.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.57 ' HG2' HMC1 ' A' ' 158' ' ' HEC . 18.1 Cg_endo -75.04 -166.86 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.528 1.804 . . . . 10.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 178.29 -44.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 10.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.585 ' O ' ' N ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER -124.39 68.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 10.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.695 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 85.4 m 52.22 -85.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 10.0 108.306 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -23.76 -46.49 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.509 1.131 . . . . 10.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -35.6 -47.53 0.89 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.042 -0.823 . . . . 10.0 111.042 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.649 ' SG ' ' HAC' ' A' ' 158' ' ' HEC . 0.0 OUTLIER -103.71 -69.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.304 -0.999 . . . . 10.0 108.304 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 63' ' ' GLY . 18.6 m-70 -61.03 153.85 24.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 10.0 109.602 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.2 mt -84.07 91.74 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.436 1.085 . . . . 10.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 tptp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 10.0 109.286 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.395 ' CAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.001 ' CHD' HD11 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.695 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.68 ' C ' HG23 ' A' ' 3' ' ' VAL . 1.0 OUTLIER 59.64 45.46 13.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 10.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.68 HG23 ' C ' ' A' ' 2' ' ' ASP . 3.0 t 83.89 111.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.536 1.148 . . . . 10.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.2 t -104.72 149.58 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 10.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 m -117.62 119.42 34.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 10.0 110.374 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.437 ' HE2' ' H2D' ' A' ' 158' ' ' HEC . 2.3 m-85 -103.43 156.44 17.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 10.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -135.5 143.45 45.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 10.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -153.25 -178.13 6.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 10.0 109.244 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -93.44 32.34 1.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 10.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -165.46 60.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 10.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.06 -148.52 21.55 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 10.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -166.23 151.12 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 10.0 109.381 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.622 HG21 HMD3 ' A' ' 158' ' ' HEC . 6.6 p -124.82 96.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 10.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 14' ' ' THR . 1.3 m -77.25 85.33 3.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 110.416 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.49 ' CZ ' HMD1 ' A' ' 158' ' ' HEC . 21.3 m-85 -47.44 162.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 10.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.55 ' CB ' ' ND1' ' A' ' 20' ' ' HIS . 1.1 m-20 -124.91 130.41 52.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 10.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.556 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -118.05 -54.71 2.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 10.0 109.586 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -86.64 -40.16 15.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 10.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.91 -31.08 72.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 10.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.725 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -87.9 -53.07 4.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 10.0 109.619 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 17' ' ' HIS . . . -38.34 -30.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 10.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' HIS . 1.7 mt-10 -54.29 -50.74 66.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 10.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' HIS . 6.6 mmtm -95.18 -56.58 2.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 10.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.077 HD22 HMC1 ' A' ' 98' ' ' HEC . 7.5 mp -45.38 -91.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 10.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 121.38 34.14 0.9 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.562 1.164 . . . . 10.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER 65.04 -75.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.279 -1.008 . . . . 10.0 108.279 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 25' ' ' GLY . 30.4 m-20 -38.12 -40.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 10.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.778 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -39.57 -30.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 10.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.299 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.2 OUTLIER -118.81 -65.42 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 10.0 108.331 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -68.37 -174.37 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 10.0 109.584 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.32 107.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 10.0 110.262 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.16 101.27 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 10.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.0 m 57.41 103.47 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.375 0.691 . . . . 10.0 110.466 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.655 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 -160.03 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.539 1.81 . . . . 10.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 166.16 -46.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 10.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.29 178.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 10.0 109.293 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.5 HD12 ' C2D' ' A' ' 98' ' ' HEC . 3.7 mt -138.59 155.14 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 10.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.5 80.87 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 10.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.521 HG23 ' HB2' ' A' ' 44' ' ' ALA . 13.8 mm -101.79 127.47 55.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.562 1.164 . . . . 10.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER 175.52 162.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 10.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 10.8 mttm -39.48 141.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 10.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 3.6 tttp 87.85 -61.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 10.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.972 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -70.95 -63.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 10.0 109.93 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.521 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -55.27 -15.16 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 10.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.432 ' CD2' ' NC ' ' A' ' 158' ' ' HEC . 13.3 m170 -92.78 -41.39 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 10.0 109.601 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 43' ' ' SER . 19.3 mttt -151.45 161.42 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 10.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 t70 60.95 15.19 5.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 10.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.972 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -150.51 -45.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.63 1.206 . . . . 10.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.719 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 6.0 m -111.1 -68.29 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 10.0 108.223 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 84.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 10.0 109.252 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' CYS . 14.7 t -171.58 -41.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 10.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.7 t -102.37 -13.22 17.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 10.0 108.364 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -96.06 17.43 15.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.604 1.19 . . . . 10.0 109.597 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -99.26 55.27 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 10.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.0 t -175.69 -55.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.498 1.124 . . . . 10.0 109.925 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -58.14 -169.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 10.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -129.74 127.41 40.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 10.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.43 -111.75 0.44 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 10.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 61' ' ' LYS . 18.3 Cg_endo -75.02 -90.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.505 1.792 . . . . 10.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 50.9 m 68.9 -58.7 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 10.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -93.2 164.59 13.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 10.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 61' ' ' LYS . 1.8 t -49.53 175.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 10.0 108.313 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 45.1 35.61 4.83 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.495 1.122 . . . . 10.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.98 -73.77 0.64 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.0 -0.84 . . . . 10.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.425 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 3.8 m -62.05 -43.33 99.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.237 -1.023 . . . . 10.0 108.237 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.559 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 52.2 m-70 -69.81 106.11 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 109.62 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.0 mm -79.81 78.35 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 10.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 10.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.299 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.719 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.425 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.475 ' HB3' ' CG ' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.37 -48.07 0.58 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 10.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 15' ' ' PHE . 13.6 p -174.28 114.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.3 t -82.3 132.5 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 10.0 109.231 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.429 ' HA ' HG23 ' A' ' 14' ' ' THR . 18.6 m -104.88 139.77 39.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 10.0 110.429 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -130.37 99.47 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 110.954 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.77 135.97 45.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 10.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -150.98 173.95 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 10.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -86.8 -68.84 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 10.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -46.84 -58.43 3.92 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.509 1.131 . . . . 10.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.22 149.29 13.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 10.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -93.16 151.81 19.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 10.0 109.345 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.941 HG21 HMD3 ' A' ' 158' ' ' HEC . 1.7 p -129.3 78.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 10.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.501 HG22 HG22 ' A' ' 3' ' ' VAL . 30.9 m -68.98 114.88 7.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 10.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.775 ' O ' HG23 ' A' ' 3' ' ' VAL . 91.1 m-85 -66.13 -170.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 10.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.853 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -150.13 111.46 4.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 10.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.608 ' CE1' ' NB ' ' A' ' 98' ' ' HEC . 0.1 OUTLIER -98.19 -56.9 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 10.0 109.574 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.76 -17.75 26.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.853 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -78.5 -23.24 46.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 10.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.515 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -101.79 -51.84 3.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 10.0 109.559 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -47.52 -41.25 20.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 10.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' ALA . 8.3 pt-20 -37.55 -31.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 10.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . 8.9 mmtp -127.31 -47.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 10.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.767 HD11 ' CHD' ' A' ' 128' ' ' HEC . 0.3 OUTLIER -59.7 -100.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 10.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.536 ' O ' HMC3 ' A' ' 98' ' ' HEC . . . 142.54 173.19 14.22 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.474 1.108 . . . . 10.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.386 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -81.26 -28.58 34.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.3 -1.0 . . . . 10.0 108.3 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -84.95 -3.33 58.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 10.0 109.329 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.91 -15.59 26.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 10.0 109.326 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.334 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 64.1 m -127.95 -48.24 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 10.0 108.279 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' CYS . 57.0 m-70 -107.48 -164.28 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 10.0 109.588 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 30' ' ' HIS . 2.3 mt-10 166.66 142.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 10.0 110.342 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.17 -60.84 1.43 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 10.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -149.15 111.32 3.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 10.0 110.43 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.581 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.4 Cg_endo -75.01 114.7 4.09 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 10.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.64 160.82 37.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 10.0 109.342 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -46.48 103.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 10.0 109.346 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.576 HG23 ' N ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -61.0 171.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 10.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.576 ' N ' HG23 ' A' ' 37' ' ' ILE . . . -60.21 -117.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 10.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.677 HG23 ' HB2' ' A' ' 44' ' ' ALA . 4.8 mm 65.8 104.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 10.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' CG ' ' C ' ' A' ' 39' ' ' ILE . 0.0 OUTLIER 167.27 114.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 10.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' SER . 0.7 OUTLIER 66.86 -136.91 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 10.0 109.354 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -68.31 69.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 10.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.681 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -151.59 -61.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 10.0 110.001 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.677 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -59.7 -15.17 17.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 10.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.416 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 21.1 m170 -96.84 -1.02 46.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 10.0 109.604 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.2 -160.05 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 10.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -52.02 -21.83 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 10.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -40.01 -54.57 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 10.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 m -105.06 -80.72 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 10.0 108.284 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 51' ' ' THR . 1.2 ptmt -41.7 105.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 10.0 109.354 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.422 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER 171.74 -53.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 10.0 110.46 -179.894 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 1.468 ' SG ' ' CAC' ' A' ' 128' ' ' HEC . 48.0 t -104.55 40.94 1.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 10.0 108.325 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -133.13 -45.73 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 10.0 109.549 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -43.16 -33.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 10.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.9 t -48.96 -68.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 10.0 110.063 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -98.6 -67.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 10.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -162.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 10.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.44 65.7 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 10.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.37 3.93 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.503 1.791 . . . . 10.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.0 m -67.73 -68.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 10.0 110.463 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -72.45 151.42 42.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 10.0 109.243 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.713 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 57.2 m -48.75 153.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 108.291 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.56 -38.45 3.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.466 1.104 . . . . 10.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.18 -80.93 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.982 -0.847 . . . . 10.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.5 ' SG ' ' HAC' ' A' ' 158' ' ' HEC . 14.6 p -92.66 -49.86 5.88 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.298 -1.001 . . . . 10.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.407 ' CE1' ' C1B' ' A' ' 158' ' ' HEC . 0.1 OUTLIER -47.66 150.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 10.0 109.578 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.5 mm -121.37 89.19 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 10.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 10.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.386 ' CAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.468 ' CAC' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.713 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.727 ' O ' HG23 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.521 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 0.2 OUTLIER 38.74 34.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.407 1.067 . . . . 10.0 109.304 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 3' ' ' VAL . 1.0 OUTLIER 73.32 99.94 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 109.359 -179.917 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 1' ' ' ALA . 3.9 t -124.91 156.31 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 10.0 109.361 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -132.3 97.16 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 10.0 110.431 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.651 ' HD2' HG13 ' A' ' 13' ' ' VAL . 20.0 m-85 -87.15 102.03 14.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 10.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.67 51.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 10.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -47.48 172.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 10.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -41.35 12.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 10.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -93.81 52.18 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 10.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.01 -141.69 17.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.551 1.157 . . . . 10.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 175.77 132.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 0.81 . . . . 10.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.651 HG13 ' HD2' ' A' ' 6' ' ' TYR . 7.4 p -118.68 109.6 27.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 10.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -105.79 123.17 47.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 10.0 110.427 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.489 ' HZ ' HMD1 ' A' ' 158' ' ' HEC . 15.8 m-30 -86.92 -174.14 4.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 10.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.602 ' OD1' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -154.51 40.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 10.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.572 ' CE1' ' CHC' ' A' ' 98' ' ' HEC . 6.6 t-80 -34.5 -51.71 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 10.0 109.54 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -78.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 10.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.97 -46.29 2.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 10.0 109.354 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.847 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.5 -58.91 6.53 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 10.0 109.626 179.955 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -35.7 -34.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 20' ' ' HIS . 2.1 mt-10 -62.49 -57.18 12.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 10.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 20' ' ' HIS . 10.1 mmtt -78.82 -50.33 11.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 10.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.055 HD22 HMC1 ' A' ' 98' ' ' HEC . 8.4 mp -57.78 -111.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 10.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 139.57 40.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.141 . . . . 10.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.519 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 61.98 -78.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.274 -1.009 . . . . 10.0 108.274 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.9 OUTLIER -31.23 -40.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 10.0 109.241 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.695 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -40.15 -58.08 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 10.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.476 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -94.65 -47.38 6.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 10.0 108.26 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.483 ' CE1' HD11 ' A' ' 37' ' ' ILE . 72.9 m-70 -78.44 -154.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 10.0 109.554 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -178.75 98.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 10.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.41 94.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.526 1.141 . . . . 10.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.0 m 68.43 104.65 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 10.0 110.358 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.822 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.2 Cg_endo -75.04 -163.64 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.802 . . . . 10.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 177.07 -52.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 10.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.72 -175.96 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.787 HD12 ' C1D' ' A' ' 98' ' ' HEC . 34.3 mt -153.33 145.88 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 10.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.15 95.36 10.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 10.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.536 HG13 HMD1 ' A' ' 98' ' ' HEC . 15.1 mm -113.92 104.85 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 10.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.6 OUTLIER -165.77 169.03 15.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 10.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.9 65.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 10.0 109.332 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' ASP . 4.0 tttm -175.51 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 10.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.555 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -112.2 -39.25 4.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 10.0 110.009 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.69 -17.2 13.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 10.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -95.11 -1.43 52.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 10.0 109.615 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.457 ' C ' ' N ' ' A' ' 48' ' ' ALA . 2.5 mttt -107.0 -163.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.7 OUTLIER -42.08 -27.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 10.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -37.2 -61.65 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 10.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -101.84 -76.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.62 1.2 . . . . 10.0 108.254 -179.953 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -47.62 95.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 10.0 109.262 -179.928 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -172.6 -55.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 10.0 110.423 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.08 -55.8 4.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 10.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -50.96 -25.52 4.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 109.59 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HG2' HG21 ' A' ' 60' ' ' THR . 5.4 mtpm? -53.14 -68.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.52 56.63 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 10.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 177.67 -176.97 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 10.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -61.82 100.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 10.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.01 113.95 0.36 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.575 1.172 . . . . 10.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.419 ' O ' ' HA3' ' A' ' 64' ' ' GLY . 18.4 Cg_endo -75.01 78.32 2.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.435 1.755 . . . . 10.0 111.069 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.417 HG21 ' HG2' ' A' ' 54' ' ' LYS . 3.7 t -73.08 53.94 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 10.0 110.353 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -115.07 -32.52 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 10.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.697 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 30.5 t 177.0 -54.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 10.0 108.272 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.67 39.43 2.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.559 1.162 . . . . 10.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 65' ' ' CYS . . . -91.56 46.96 2.78 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.987 -0.845 . . . . 10.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 64' ' ' GLY . 1.6 p 160.24 -50.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.325 -0.991 . . . . 10.0 108.325 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -60.65 115.23 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 10.0 109.585 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mt -85.11 101.71 9.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 10.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.1 tttp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 10.0 109.29 -179.982 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.476 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 0.842 HBC3 HMC1 ' A' ' 128' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.697 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.556 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.321 -0.622 . . . . 10.0 109.321 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 2.3 m-20 152.34 61.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 10.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 4' ' ' VAL . 2.7 t 60.19 168.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 10.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.671 HG12 ' O ' ' A' ' 4' ' ' VAL . 29.6 t -158.64 71.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 10.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.466 HG23 ' OG1' ' A' ' 14' ' ' THR . 19.5 m -40.2 147.84 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 10.0 110.409 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.44 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 0.2 OUTLIER -143.48 84.95 1.82 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.545 1.153 . . . . 10.0 110.912 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -54.07 139.76 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.393 1.058 . . . . 10.0 110.333 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.522 ' ND2' HG12 ' A' ' 13' ' ' VAL . 7.8 m-80 -135.03 -177.49 4.66 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.523 1.14 . . . . 10.0 109.368 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -100.61 -27.13 13.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 10.0 109.327 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.6 68.41 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 10.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.07 122.97 0.45 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.582 1.176 . . . . 10.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -70.32 153.27 43.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 0.773 . . . . 10.0 109.329 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 13' ' ' VAL . 2.5 p -122.09 47.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 10.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.466 ' OG1' HG23 ' A' ' 5' ' ' THR . 1.2 m -43.44 94.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 10.0 110.358 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.847 ' CE1' HBB3 ' A' ' 128' ' ' HEC . 52.0 m-85 -56.36 -168.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 10.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.559 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 16.5 m-20 -145.81 127.73 15.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 10.0 109.332 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.546 ' CD2' ' NC ' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -108.17 -59.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 10.0 109.551 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 30.5 tttt -68.51 -52.03 36.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 10.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.31 -40.7 71.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 10.0 109.254 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 15.2 m170 -72.62 -65.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 10.0 109.536 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -39.18 -44.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 10.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.6 mm-40 -38.67 -57.0 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.132 . . . . 10.0 110.251 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -89.5 -42.17 11.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 10.0 109.224 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.006 HD22 HMC1 ' A' ' 98' ' ' HEC . 7.3 mp -65.78 -109.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 10.0 109.236 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 137.24 39.35 0.13 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.482 1.114 . . . . 10.0 111.017 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 67.84 -68.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.305 -0.998 . . . . 10.0 108.305 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' GLY . 7.5 m-20 -42.69 -46.56 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 10.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.838 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -45.1 -26.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 10.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.364 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 75.0 m -115.85 -66.18 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 10.0 108.34 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.58 ' CE1' HD11 ' A' ' 37' ' ' ILE . 20.8 m-70 -80.18 -165.59 0.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 10.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.66 88.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.25 80.66 1.22 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 10.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 m 72.68 104.83 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.426 0.721 . . . . 10.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.918 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.0 Cg_endo -75.04 -178.65 4.32 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.798 . . . . 10.0 111.001 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 172.88 161.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 10.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -56.3 108.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 10.0 109.254 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.58 HD11 ' CE1' ' A' ' 30' ' ' HIS . 13.0 mt -75.17 148.09 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 10.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.98 77.75 5.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.13 . . . . 10.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.79 HD12 ' HB2' ' A' ' 44' ' ' ALA . 24.2 mm -100.18 129.05 51.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 10.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.54 -52.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 10.0 109.319 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.5 ' HD2' ' C2A' ' A' ' 158' ' ' HEC . 0.0 OUTLIER 178.23 92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 10.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 8.0 mttt 169.45 -39.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 10.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 1.051 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -116.25 -48.62 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.96 -179.958 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.978 ' HB1' ' CMD' ' A' ' 158' ' ' HEC . . . -53.91 -15.74 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 10.0 109.361 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.544 ' CD2' ' NC ' ' A' ' 158' ' ' HEC . 4.7 m170 -92.7 -43.11 9.24 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.452 1.095 . . . . 10.0 109.651 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.502 ' O ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -149.73 168.94 22.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 10.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 45.22 35.88 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 10.0 109.325 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.051 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -168.59 -48.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 10.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.674 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 60.3 m -109.23 -74.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.14 . . . . 10.0 108.267 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -38.25 -57.15 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.177 . . . . 10.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 m -40.89 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 10.0 110.444 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 21.3 t -84.82 105.78 15.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 10.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.466 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.3 OUTLIER 163.51 -28.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.486 1.116 . . . . 10.0 109.61 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -68.74 62.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 10.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -174.81 -42.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 10.0 109.963 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.03 -57.91 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 10.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.64 -155.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.611 1.194 . . . . 10.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -174.22 79.45 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.575 1.172 . . . . 10.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.547 ' HA ' ' CA ' ' A' ' 64' ' ' GLY . 18.5 Cg_endo -74.87 144.15 30.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 10.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.509 ' O ' ' O ' ' A' ' 61' ' ' LYS . 12.7 m -150.57 52.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 10.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.584 ' HB2' HBB1 ' A' ' 158' ' ' HEC . 0.1 OUTLIER 44.15 99.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 10.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.726 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 6.7 m 82.09 -67.11 0.1 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.556 1.16 . . . . 10.0 108.33 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.48 -11.82 16.29 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.128 . . . . 10.0 110.987 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.547 ' CA ' ' HA ' ' A' ' 59' ' ' PRO . . . -72.58 -65.85 2.22 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.988 -0.845 . . . . 10.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.392 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 2.8 p -141.37 62.54 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 10.0 108.29 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 62' ' ' CYS . 3.8 m-70 -163.73 96.72 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 10.0 109.568 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.689 HG23 ' N ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -51.34 179.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 10.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.689 ' N ' HG23 ' A' ' 67' ' ' ILE . 9.5 pttp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 10.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.364 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.674 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.726 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.631 ' O ' HG12 ' A' ' 3' ' ' VAL . 1.2 t0 68.46 28.9 5.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 10.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 89.16 147.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 10.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 4' ' ' VAL . 77.8 t -153.91 55.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 10.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.656 ' OG1' HG23 ' A' ' 14' ' ' THR . 3.0 m -42.91 159.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 10.0 110.34 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.625 ' HB2' HG13 ' A' ' 13' ' ' VAL . 13.6 m-85 -136.95 109.34 7.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 10.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -62.55 139.86 58.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 10.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -149.67 -175.67 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 10.0 109.294 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.56 -2.86 14.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 10.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 72.66 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 10.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.4 98.53 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 10.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -57.24 121.69 10.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 10.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.625 HG13 ' HB2' ' A' ' 6' ' ' TYR . 13.7 p -82.92 88.88 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 10.0 109.352 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.656 HG23 ' OG1' ' A' ' 5' ' ' THR . 2.3 m -75.72 84.08 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 10.0 110.347 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.556 ' CE2' HBB3 ' A' ' 128' ' ' HEC . 5.2 m-85 -50.75 -178.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 10.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.485 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 3.7 m-20 -157.29 129.41 7.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 10.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.15 -58.26 2.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 10.0 109.569 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -43.68 71.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 10.0 109.272 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.27 -29.68 68.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 10.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.485 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 2.2 m170 -79.5 -55.87 4.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 10.0 109.619 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.07 -30.94 4.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.68 -58.93 3.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.1 mmmt -90.52 -31.63 16.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 10.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.804 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -68.04 -105.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 10.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 129.5 34.65 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 10.0 111.029 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.547 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 66.57 -73.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.328 -0.989 . . . . 10.0 108.328 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER -43.17 -26.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 10.0 109.272 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.804 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -61.83 -39.92 93.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 10.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.354 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 91.9 m -103.99 -52.76 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 10.0 108.339 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' CYS . 5.0 m-70 -95.05 -150.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 10.0 109.599 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -158.93 -144.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 10.0 110.279 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.452 ' N ' ' CG ' ' A' ' 31' ' ' GLU . . . -57.57 94.78 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.09 . . . . 10.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.0 m 69.95 105.33 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 10.0 110.375 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.688 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.96 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.499 1.789 . . . . 10.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 178.49 -57.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.378 1.049 . . . . 10.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.39 163.66 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.809 HD12 ' C1D' ' A' ' 98' ' ' HEC . 6.9 mt -122.89 156.83 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 10.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.24 96.05 6.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 10.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.833 HD12 ' HB2' ' A' ' 44' ' ' ALA . 6.0 mm -126.77 146.12 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 10.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 13.1 t0 -164.74 -63.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 10.0 109.294 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER 178.5 38.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 10.0 109.306 -179.928 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.2 -68.35 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 10.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.827 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 1.2 t -51.64 -52.53 47.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 10.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 1.011 ' HB1' HMD2 ' A' ' 158' ' ' HEC . . . -55.48 -18.99 8.24 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 10.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -100.47 5.63 44.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 10.0 109.592 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 47' ' ' ASP . 5.5 mttt -119.4 -165.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 10.0 109.352 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 46' ' ' LYS . 4.7 m-20 -37.32 -34.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 10.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.827 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -38.11 -44.85 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.596 ' O ' ' C ' ' A' ' 50' ' ' LYS . 75.3 m -126.39 -106.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 10.0 108.32 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.596 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.2 OUTLIER 22.65 -95.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 10.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.523 ' C ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -28.96 -56.48 0.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 10.0 110.398 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 1.403 ' SG ' ' CAC' ' A' ' 128' ' ' HEC . 8.0 t -85.92 77.62 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 10.0 108.339 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.483 ' HB3' ' CG ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER 172.28 -36.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 10.0 109.551 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -71.98 66.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 10.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.93 -58.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 10.0 110.046 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.99 -75.06 0.64 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 10.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -43.0 -48.53 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 10.0 109.257 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.453 ' N ' ' HD3' ' A' ' 59' ' ' PRO . . . 69.85 61.62 4.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 10.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.489 ' O ' ' HB ' ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.06 -155.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 10.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 60' ' ' THR . 4.3 m 67.69 30.31 6.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 10.0 110.424 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.03 22.24 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 10.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.687 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 1.2 m 51.34 31.55 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 10.0 108.288 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -150.31 19.41 1.05 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 10.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.53 -68.61 0.95 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.003 -0.839 . . . . 10.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -68.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.24 -1.022 . . . . 10.0 108.24 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.437 ' CD2' ' C4B' ' A' ' 158' ' ' HEC . 75.7 m-70 -45.71 148.14 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 10.0 109.571 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 78.4 mt -110.21 101.25 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 10.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.138 . . . . 10.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.354 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.403 ' CAC' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.687 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.465 ' CB ' ' HG2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -54.13 -15.91 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 10.0 109.348 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 15' ' ' PHE . 4.1 p -178.19 77.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.391 1.057 . . . . 10.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.7 t -54.43 134.16 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 10.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.6 m -104.34 154.53 19.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 10.0 110.4 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 1.8 m-85 -148.55 81.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 10.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -73.4 125.45 27.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 10.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -128.89 171.33 12.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 10.0 109.352 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -62.46 -48.66 78.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 10.0 109.37 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 10.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.05 142.74 9.81 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.473 1.108 . . . . 10.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -62.34 126.25 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 10.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 13' ' ' VAL . 7.7 p -114.38 54.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 10.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.95 134.63 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 10.0 110.458 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.556 ' CD2' HBB3 ' A' ' 128' ' ' HEC . 6.9 m-85 -87.75 -173.69 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 10.0 110.958 -179.913 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.514 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 1.3 m-20 -146.84 121.39 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 10.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.432 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -113.48 -63.05 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 10.0 109.569 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HG2' ' CB ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -86.15 -20.37 28.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 10.0 109.355 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.96 -27.49 39.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 10.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.514 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -94.87 -49.54 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 10.0 109.58 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.476 ' HB1' ' CBB' ' A' ' 98' ' ' HEC . . . -53.02 -51.68 60.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 10.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -39.04 -29.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 10.0 110.35 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.6 tttp -105.06 -64.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 10.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.629 HD22 HBC2 ' A' ' 128' ' ' HEC . 4.9 mp -57.65 -92.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' CYS . . . 123.59 66.67 0.21 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 10.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER 39.61 -146.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.244 -1.021 . . . . 10.0 108.244 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 26' ' ' CYS . 66.0 m-20 35.24 31.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 10.0 109.374 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.784 ' HB1' ' CBC' ' A' ' 128' ' ' HEC . . . -117.81 -61.35 1.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 10.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.378 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -111.96 5.16 18.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 10.0 108.316 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -117.21 177.27 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 10.0 109.634 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -178.85 121.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.98 92.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.541 1.151 . . . . 10.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.9 m 71.29 105.19 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.444 0.732 . . . . 10.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.542 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.1 Cg_endo -74.98 126.68 10.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 10.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.45 -177.48 4.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 10.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.515 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -71.95 108.18 5.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 10.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.863 HD12 ' C2D' ' A' ' 98' ' ' HEC . 38.8 mt -64.82 167.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 10.0 109.239 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.538 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -94.28 90.36 6.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 10.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.539 HG23 ' HB2' ' A' ' 44' ' ' ALA . 6.6 mm -119.7 140.96 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 10.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 10.7 t70 -165.22 -67.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 10.0 109.337 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HB2' ' CAA' ' A' ' 158' ' ' HEC . 0.6 OUTLIER 177.52 82.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 10.0 109.327 179.923 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm 173.14 -58.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 109.284 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -81.57 -36.73 28.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 10.0 109.972 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.928 ' HA ' ' HB3' ' A' ' 48' ' ' ALA . . . -65.15 -6.09 8.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 10.0 109.24 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -98.2 -4.06 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 10.0 109.569 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -169.4 -65.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.401 1.063 . . . . 10.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 27.7 m-20 -70.98 55.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 10.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.928 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . 173.11 -76.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 10.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.44 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 60.0 m -88.64 -129.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 10.0 108.313 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.559 ' O ' ' C ' ' A' ' 51' ' ' THR . 5.0 mmtp 28.78 -93.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 10.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.568 ' N ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -25.49 -50.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 10.0 110.363 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.476 ' N ' ' CG2' ' A' ' 51' ' ' THR . 9.0 t -96.23 85.01 3.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 10.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 175.23 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 10.0 109.614 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -66.66 72.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 10.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' HIS . 0.6 OUTLIER -157.03 -51.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 10.0 109.972 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -105.25 -60.52 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 10.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -86.49 -172.13 3.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 10.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -145.69 64.65 0.44 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 10.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.17 4.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 10.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 m -85.17 -49.78 7.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.087 . . . . 10.0 110.457 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -76.91 -156.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 10.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -107.4 43.06 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 10.0 108.278 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -126.65 -42.24 0.29 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.528 1.143 . . . . 10.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.13 -83.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.994 -0.842 . . . . 10.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.884 ' SG ' HMB3 ' A' ' 128' ' ' HEC . 1.8 m -72.84 -64.95 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.325 -0.991 . . . . 10.0 108.325 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.5 ' CE1' ' C1B' ' A' ' 158' ' ' HEC . 10.9 m-70 -64.88 103.56 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 10.0 109.605 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 67' ' ' ILE . 19.7 mm -88.46 79.35 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 10.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 tttt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 10.0 109.275 -179.995 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.378 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.44 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 0.833 HBC3 HMC1 ' A' ' 158' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 1.017 ' O ' HG23 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.453 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 1.0 OUTLIER 43.95 34.14 0.88 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.15 . . . . 10.0 109.339 -179.928 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 3' ' ' VAL . 17.8 t 66.4 81.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.017 HG23 ' O ' ' A' ' 1' ' ' ALA . 10.0 t -105.8 164.54 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 10.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.603 HG23 ' OG1' ' A' ' 14' ' ' THR . 89.7 m -131.2 91.48 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 10.0 110.362 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.546 ' CD2' ' CZ ' ' A' ' 15' ' ' PHE . 4.2 m-30 -81.26 124.9 29.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 10.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -113.82 110.88 20.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 10.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -113.75 159.36 19.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 10.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -40.31 -50.48 2.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 10.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -79.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 10.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.38 -100.47 0.22 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 10.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.6 p-10 -172.69 137.3 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 10.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.628 HG21 ' CHD' ' A' ' 158' ' ' HEC . 10.8 p -120.92 62.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 10.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.749 HG23 ' O ' ' A' ' 4' ' ' VAL . 4.2 m -55.4 130.58 43.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 10.0 110.426 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.546 ' CZ ' ' CD2' ' A' ' 6' ' ' TYR . 8.8 m-85 -88.39 -173.57 4.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 10.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.977 ' O ' HBC3 ' A' ' 98' ' ' HEC . 1.2 m-20 -150.2 117.66 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 10.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.668 ' CE1' ' C4B' ' A' ' 98' ' ' HEC . 9.3 t-80 -124.08 -65.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 109.6 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -21.77 64.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 10.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.79 -32.92 13.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 10.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.606 ' HB3' HMC1 ' A' ' 98' ' ' HEC . 0.2 OUTLIER -77.24 -35.34 55.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 10.0 109.583 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -15.1 11.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 10.0 109.329 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -79.55 -49.65 11.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 10.0 110.372 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -87.76 -53.74 4.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 10.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.866 HD22 HMC1 ' A' ' 98' ' ' HEC . 6.6 mp -58.73 -114.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 10.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 145.87 38.01 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 10.0 110.961 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.547 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 65.48 -69.7 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.343 -0.984 . . . . 10.0 108.343 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 25' ' ' GLY . 2.4 m-20 -39.17 -28.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 10.0 109.251 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.669 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . . . -62.61 -48.11 80.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 10.0 109.352 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.47 ' SG ' ' HAC' ' A' ' 98' ' ' HEC . 20.4 m -93.42 -50.72 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 10.0 108.254 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 26' ' ' CYS . 5.1 m-70 -95.26 179.34 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 10.0 109.644 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.14 94.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 10.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.72 82.83 1.02 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 10.0 111.042 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.0 m 71.43 103.38 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 10.0 110.451 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.768 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.1 Cg_endo -75.02 159.89 40.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.43 1.753 . . . . 10.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' LYS . . . -173.38 157.75 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 10.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.45 ' N ' ' HE3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.2 143.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 10.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.5 mt -119.01 146.28 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 10.0 109.332 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.43 91.03 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 10.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.42 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 3.7 mm -97.75 137.79 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 10.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 0.4 OUTLIER 162.01 165.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 10.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' ASP . 19.2 ttpt -42.37 163.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 10.0 109.322 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER 79.87 -70.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 10.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 46' ' ' LYS . 26.3 m -67.78 -67.31 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 10.0 109.934 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.885 ' HA ' ' HB3' ' A' ' 48' ' ' ALA . . . -55.15 -15.99 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 10.0 109.251 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.422 ' CE1' ' NB ' ' A' ' 158' ' ' HEC . 1.6 m-70 -106.61 13.79 27.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 10.0 109.598 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 42' ' ' LYS . 26.2 tttm -131.41 -92.98 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 10.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 1.3 m-20 -122.89 65.97 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 10.0 109.206 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.885 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -146.19 -45.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 10.0 109.216 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.718 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 0.1 OUTLIER -113.35 -69.34 0.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 10.0 108.306 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' CYS . 49.1 mttt -39.97 -57.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 10.0 109.252 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.499 HG23 ' N ' ' A' ' 52' ' ' CYS . 2.2 t -38.03 -56.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 10.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 53' ' ' HIS . 51.4 t -95.33 104.03 15.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.617 1.198 . . . . 10.0 108.295 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER 161.49 -47.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 10.0 109.572 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -46.5 -30.83 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 10.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.49 64.9 4.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 10.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 57' ' ' ASN . 9.2 t30 167.39 -87.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 10.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.433 ' HB2' ' ND2' ' A' ' 56' ' ' ASN . 1.8 t-20 -110.0 -42.86 4.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 10.0 109.339 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.448 ' N ' ' HD3' ' A' ' 59' ' ' PRO . . . 61.72 61.82 6.38 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.132 . . . . 10.0 111.014 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 58' ' ' GLY . 18.2 Cg_endo -75.0 54.91 3.78 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.804 . . . . 10.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.466 ' HA ' ' CMC' ' A' ' 158' ' ' HEC . 1.9 t -101.27 53.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 10.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 63' ' ' GLY . 1.2 pttt -141.89 32.91 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 10.0 109.206 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.686 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 1.1 m 68.54 -70.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 10.0 108.32 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' LYS . . . -51.96 -20.21 6.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.555 1.16 . . . . 10.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.417 ' HA3' ' CB ' ' A' ' 59' ' ' PRO . . . -65.96 -64.04 3.64 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.4 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 39.8 m -91.25 -54.94 3.72 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.307 -0.997 . . . . 10.0 108.307 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 62' ' ' CYS . 55.6 m-70 -86.97 100.51 12.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 10.0 109.613 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.4 mt -78.21 69.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 10.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 10.0 109.263 179.949 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.47 ' HAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.718 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.686 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.51 ' O ' ' HB ' ' A' ' 3' ' ' VAL . 0.2 OUTLIER 50.9 34.56 10.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 10.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.51 ' HB ' ' O ' ' A' ' 2' ' ' ASP . 13.2 t 69.51 97.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.502 1.126 . . . . 10.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.596 HG11 ' CE2' ' A' ' 6' ' ' TYR . 2.9 t -111.17 156.11 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 10.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.6 m -142.09 78.71 1.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 10.0 110.39 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.596 ' CE2' HG11 ' A' ' 4' ' ' VAL . 31.6 m-85 -71.49 153.22 42.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 10.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -128.31 106.05 8.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 10.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 10' ' ' LYS . 3.2 p30 -111.77 -175.01 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -93.21 32.01 1.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 10.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' O ' ' ND1' ' A' ' 66' ' ' HIS . 0.4 OUTLIER -164.02 60.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 10.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.29 173.06 49.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 10.0 111.04 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -131.21 126.55 35.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 10.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.632 HG21 HMD3 ' A' ' 158' ' ' HEC . 10.7 p -90.49 118.76 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 10.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.5 m -98.18 73.44 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 10.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.866 ' CE1' HBB3 ' A' ' 128' ' ' HEC . 0.6 OUTLIER -42.49 161.37 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 10.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.58 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.3 OUTLIER -146.06 103.39 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 10.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -114.49 -49.09 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 10.0 109.623 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.63 -25.0 58.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 10.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.93 -39.68 15.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 10.0 109.267 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.605 ' CE1' ' C4D' ' A' ' 128' ' ' HEC . 1.5 m-70 -71.26 -47.06 59.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 10.0 109.548 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.883 ' HB1' HBB2 ' A' ' 98' ' ' HEC . . . -47.32 -24.17 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 10.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 20' ' ' HIS . 1.9 mt-10 -71.24 -51.72 23.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 10.0 110.36 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -56.39 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.6 1.187 . . . . 10.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.042 HD23 ' CB ' ' A' ' 28' ' ' ALA . 6.4 mp -53.64 -101.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 10.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 135.12 40.85 0.15 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.437 1.086 . . . . 10.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.395 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 1.6 m 72.08 -57.68 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.303 -0.999 . . . . 10.0 108.303 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.26 62.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.221 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 1.083 ' HB1' HBC2 ' A' ' 128' ' ' HEC . . . -138.65 -55.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 10.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.366 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -112.47 -11.23 13.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 10.0 108.363 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.433 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 92.0 m-70 -104.23 -178.2 3.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 10.0 109.588 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 32' ' ' GLY . 14.5 tt0 -149.91 99.38 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 10.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . 46.9 99.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 10.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.4 m 67.66 104.88 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.568 0.805 . . . . 10.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.837 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.2 Cg_endo -75.0 178.39 7.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 10.0 111.038 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' O ' HAA1 ' A' ' 98' ' ' HEC . . . -166.94 -51.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 10.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -176.42 177.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 10.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.495 HD12 ' C1D' ' A' ' 98' ' ' HEC . 40.8 mt -151.92 150.54 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 10.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -101.34 106.07 17.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 10.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.685 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 19.9 mm -116.82 130.76 71.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 10.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 42' ' ' LYS . 2.8 p30 179.64 163.9 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 10.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -65.85 71.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 10.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 40' ' ' ASP . 6.5 tttt -178.37 -43.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 10.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.705 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -106.52 -36.49 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 10.0 109.989 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.415 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -58.63 -16.09 14.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 10.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -97.56 -3.37 39.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.087 . . . . 10.0 109.568 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -105.04 -160.99 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 10.0 109.244 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' ALA . 16.7 p-10 -46.8 -26.97 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 10.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -37.96 -54.9 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 10.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.492 ' HB3' HBC1 ' A' ' 158' ' ' HEC . 1.7 m -116.72 -73.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 10.0 108.271 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' CYS . 14.3 mmmt -38.46 99.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 10.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.705 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 176.96 -77.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.427 1.079 . . . . 10.0 110.378 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 1.543 ' SG ' ' HAC' ' A' ' 128' ' ' HEC . 0.2 OUTLIER -62.05 -52.83 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 10.0 108.259 -179.929 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.405 ' CE1' ' C1B' ' A' ' 128' ' ' HEC . 3.2 m170 -43.57 -44.42 6.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.638 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -69.88 79.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 10.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.39 -36.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 109.979 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -109.19 -75.77 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.608 1.193 . . . . 10.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -73.81 -177.04 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 10.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -135.14 69.07 0.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.573 1.17 . . . . 10.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.527 ' CB ' ' HA3' ' A' ' 64' ' ' GLY . 18.0 Cg_endo -75.08 -43.88 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.778 . . . . 10.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.585 ' O ' ' O ' ' A' ' 61' ' ' LYS . 9.9 t 38.26 36.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 10.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.981 ' HA ' HMC3 ' A' ' 158' ' ' HEC . 6.3 pttt 51.36 160.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 10.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.599 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 10.6 m 39.99 89.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 10.0 108.284 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.59 -18.6 8.67 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 10.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.527 ' HA3' ' CB ' ' A' ' 59' ' ' PRO . . . -91.06 -78.92 1.38 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.995 -0.842 . . . . 10.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.391 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 3.7 m -76.53 -59.64 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 10' ' ' LYS . 91.7 m-70 -74.15 90.65 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 10.0 109.529 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.4 mt -88.57 94.07 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 10.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 10.0 109.285 -179.99 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.395 ' CAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.543 ' HAC' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.599 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.975 ' O ' HG23 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.33 -0.619 . . . . 10.0 109.33 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.518 ' N ' ' HB3' ' A' ' 17' ' ' HIS . 2.9 m-20 36.72 32.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 10.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.794 HG12 ' O ' ' A' ' 3' ' ' VAL . 3.5 t 68.48 72.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 10.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.975 HG23 ' O ' ' A' ' 1' ' ' ALA . 11.8 t -98.64 147.59 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 10.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.411 ' HA ' ' OG1' ' A' ' 14' ' ' THR . 55.1 m -121.52 111.43 17.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 10.0 110.376 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.673 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 8.8 m-30 -112.2 101.86 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 10.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -95.05 70.57 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 10.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 3.0 p30 -74.96 -176.07 2.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 10.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.72 -57.37 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 10.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -43.6 -81.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 10.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -152.92 120.35 1.05 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.471 1.107 . . . . 10.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -53.29 138.9 31.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 10.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.7 p -137.01 72.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 10.0 109.354 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 4' ' ' VAL . 1.6 m -70.84 101.71 2.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 10.0 110.349 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.411 ' CE2' ' CE2' ' A' ' 6' ' ' TYR . 2.9 m-85 -60.39 160.03 9.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 10.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.619 ' O ' HBC3 ' A' ' 98' ' ' HEC . 0.0 OUTLIER -129.92 116.49 18.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 10.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.518 ' HB3' ' N ' ' A' ' 2' ' ' ASP . 7.9 t-80 -121.63 -64.89 1.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 10.0 109.583 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.76 -27.05 67.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 10.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.72 -35.64 24.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 10.0 109.276 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.616 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -76.02 -52.41 10.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 10.0 109.556 -179.944 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.67 ' HB1' HBB2 ' A' ' 98' ' ' HEC . . . -46.02 -25.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 10.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 20' ' ' HIS . 3.6 mm-40 -40.87 -51.46 3.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 10.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -124.11 -48.54 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 10.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.783 HD11 ' CHD' ' A' ' 128' ' ' HEC . 0.3 OUTLIER -40.22 -86.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 10.0 109.278 179.945 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.993 ' O ' HMC3 ' A' ' 98' ' ' HEC . . . 134.8 -171.69 22.27 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.528 1.142 . . . . 10.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.335 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -89.83 -60.2 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.009 . . . . 10.0 108.277 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 30' ' ' HIS . 1.5 m-20 -41.79 -26.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 10.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.941 ' HB1' HBC2 ' A' ' 128' ' ' HEC . . . -41.85 -47.09 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 10.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.332 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 1.7 m -107.8 -56.79 2.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 10.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.514 ' HE1' ' C4B' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -79.58 -172.78 3.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.58 1.175 . . . . 10.0 109.583 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -178.85 91.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 10.0 110.269 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 102.97 71.59 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 10.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.1 m 64.24 106.34 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 10.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.508 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 18.4 Cg_endo -74.98 -177.55 3.54 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 10.0 111.054 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' O ' HAA1 ' A' ' 98' ' ' HEC . . . -178.27 -39.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 10.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER 178.99 156.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 10.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.067 HD12 ' C1D' ' A' ' 98' ' ' HEC . 36.9 mt -122.54 -1.57 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 10.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 39.66 90.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 10.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.46 HG13 HMD1 ' A' ' 98' ' ' HEC . 10.8 mm -102.3 115.38 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 10.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 42' ' ' LYS . 4.0 t70 -163.43 165.91 23.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 10.0 109.238 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' HD3' ' CAA' ' A' ' 158' ' ' HEC . 0.0 OUTLIER -66.73 70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 10.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -178.63 -38.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 10.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -113.29 -44.43 3.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 10.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.519 ' HA ' ' HB3' ' A' ' 48' ' ' ALA . . . -54.01 -20.63 6.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 10.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -89.37 7.71 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 10.0 109.691 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -119.39 -159.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 10.0 109.237 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 48' ' ' ALA . 2.3 m-20 -40.08 -31.91 0.15 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.422 1.076 . . . . 10.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -36.24 -57.66 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 10.0 109.346 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.481 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 0.1 OUTLIER -110.0 -74.51 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 10.0 108.28 179.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.32 101.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.726 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.8 OUTLIER -176.32 -77.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 10.0 110.373 -179.928 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 1.403 ' SG ' ' HAC' ' A' ' 128' ' ' HEC . 0.5 OUTLIER -77.5 -44.48 28.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 10.0 108.319 179.944 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.437 ' CG ' ' HD2' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -53.15 -52.55 58.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 10.0 109.586 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -80.23 65.34 5.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 10.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -153.06 -51.42 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 10.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -93.91 -78.07 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 10.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -154.74 116.16 4.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 10.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.57 -140.41 6.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.104 . . . . 10.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 53' ' ' HIS . 18.4 Cg_endo -74.92 171.7 17.79 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.483 1.781 . . . . 10.0 110.951 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.544 HG23 ' HG2' ' A' ' 61' ' ' LYS . 2.3 t -178.2 -47.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 10.0 110.366 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.544 ' HG2' HG23 ' A' ' 60' ' ' THR . 0.0 OUTLIER -101.17 -109.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 10.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 64' ' ' GLY . 0.5 OUTLIER -112.53 -65.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 10.0 108.211 -179.916 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.74 69.16 0.29 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.512 1.133 . . . . 10.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' CYS . . . -127.87 -84.6 0.46 Allowed Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.997 -0.841 . . . . 10.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.371 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 3.0 p -79.51 -43.76 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.44 ' CE1' ' NA ' ' A' ' 158' ' ' HEC . 4.3 m-70 -68.31 103.96 1.73 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 10.0 109.574 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.4 mt -79.37 77.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 10.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 10.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.335 ' CAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.481 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.371 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.533 ' HA ' ' CG ' ' A' ' 17' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.763 ' C ' HG13 ' A' ' 3' ' ' VAL . 0.4 OUTLIER 39.93 29.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 10.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.763 HG13 ' C ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 72.78 145.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 10.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.32 150.79 34.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 10.0 109.292 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m -114.86 121.38 43.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 10.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -110.49 150.42 28.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 10.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -118.08 127.8 54.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 10.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.429 ' ND2' HG12 ' A' ' 13' ' ' VAL . 74.7 m-80 -130.64 179.85 5.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 10.0 109.293 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.3 23.74 7.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 10.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 -79.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 10.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 12' ' ' ASN . . . -161.47 37.18 0.4 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.531 1.145 . . . . 10.0 110.958 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 11' ' ' GLY . 43.0 m-20 47.36 -173.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 0.784 . . . . 10.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.886 HG21 ' C2D' ' A' ' 158' ' ' HEC . 1.5 p -169.17 62.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 10.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 m -52.89 136.19 34.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 10.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.628 ' HE2' HG21 ' A' ' 39' ' ' ILE . 85.1 m-85 -99.23 -173.01 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 10.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.811 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -151.07 115.46 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 10.0 109.268 -179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.533 ' CG ' ' HA ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -102.89 -46.48 4.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 10.0 109.632 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 6.3 tttt -88.29 -36.09 16.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 10.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.811 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -65.5 -35.01 79.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 10.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.589 ' CE1' ' OD1' ' A' ' 16' ' ' ASP . 10.3 m170 -79.3 -63.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 109.621 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -38.62 -31.28 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 10.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.6 mm-40 -52.23 -55.66 19.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.389 1.056 . . . . 10.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.1 -40.9 11.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 10.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.991 HD22 HMC1 ' A' ' 98' ' ' HEC . 6.0 mp -68.83 -119.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 10.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 154.86 41.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.148 . . . . 10.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER 65.03 -74.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.317 -0.994 . . . . 10.0 108.317 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 25' ' ' GLY . 1.9 t70 -32.14 -38.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 10.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.727 ' HB1' HBC2 ' A' ' 128' ' ' HEC . . . -41.54 -51.92 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 10.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.298 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.8 OUTLIER -106.07 -46.55 4.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 10.0 108.358 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.57 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 22.1 m-70 -94.93 -150.52 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 10.0 109.621 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -173.1 -150.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 10.0 110.298 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.01 -25.28 0.95 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 10.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.4 m -151.05 106.86 3.01 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 10.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.742 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 18.5 Cg_endo -74.9 -84.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.469 1.773 . . . . 10.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 34' ' ' PRO . . . 90.6 -69.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 10.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -177.25 175.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 10.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.77 HD12 ' C1D' ' A' ' 98' ' ' HEC . 62.9 mt -140.48 162.12 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.43 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -110.72 93.4 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 10.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.783 HG23 ' HB2' ' A' ' 44' ' ' ALA . 28.8 mm -106.62 95.89 4.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 10.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 172.44 152.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 10.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt 70.24 -144.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 10.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -84.29 50.45 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 10.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.494 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -130.35 -62.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.39 1.056 . . . . 10.0 110.085 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.783 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -57.54 -17.82 15.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.112 . . . . 10.0 109.414 179.9 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -96.43 -2.36 45.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 10.0 109.586 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 48' ' ' ALA . 2.6 tttt -102.61 -158.49 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 10.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 48' ' ' ALA . 19.2 m-20 -42.87 -29.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 10.0 109.364 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -38.87 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 10.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.624 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 84.5 m -92.43 -61.76 1.54 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.481 1.113 . . . . 10.0 108.345 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 51' ' ' THR . 0.3 OUTLIER -58.35 102.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 10.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.458 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER 168.84 -65.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 10.0 110.385 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.442 ' N ' HG22 ' A' ' 51' ' ' THR . 18.7 t -100.16 72.64 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.12 . . . . 10.0 108.342 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 0.3 OUTLIER -159.02 -44.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 10.0 109.624 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.83 62.76 5.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 10.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -132.06 -54.75 0.98 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.559 1.162 . . . . 10.0 110.054 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -112.53 -60.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 10.0 109.232 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -149.74 97.37 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 10.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.13 121.8 1.78 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.413 1.071 . . . . 10.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.476 ' HG2' ' CA ' ' A' ' 64' ' ' GLY . 18.2 Cg_endo -75.03 82.06 2.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.485 1.782 . . . . 10.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.6 t -89.12 24.7 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 10.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -106.97 57.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 10.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.686 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 12.3 t 64.43 135.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 10.0 108.269 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . 75.13 -101.73 1.38 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 10.0 110.985 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.476 ' CA ' ' HG2' ' A' ' 59' ' ' PRO . . . 68.13 -54.95 0.42 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.036 -0.826 . . . . 10.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.376 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 0.8 OUTLIER -97.16 -21.26 17.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.245 -1.02 . . . . 10.0 108.245 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -77.5 87.65 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 10.0 109.641 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.445 ' O ' ' CG2' ' A' ' 67' ' ' ILE . 3.8 tt -48.71 114.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 10.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 10.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.298 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.624 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.686 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.45 ' CB ' ' HB2' ' A' ' 18' ' ' LYS . 46.6 m-20 -79.5 -40.72 29.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 10.0 109.339 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 15' ' ' PHE . 73.2 t -129.53 137.93 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 10.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.59 HG23 ' HB2' ' A' ' 15' ' ' PHE . 1.4 m -120.75 162.72 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 10.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 5' ' ' THR . 10.0 t -154.25 112.57 3.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 110.445 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.463 ' HB2' HG12 ' A' ' 13' ' ' VAL . 22.9 m-30 -94.82 143.85 26.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 10.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.51 120.91 20.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 10.0 110.293 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.459 ' O ' ' CB ' ' A' ' 9' ' ' LYS . 23.0 m-20 -111.84 -11.25 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 10.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 8' ' ' ASN . 3.1 tptm 85.05 -49.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 10.0 109.233 179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.48 67.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 10.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.488 ' O ' ' CE1' ' A' ' 66' ' ' HIS . . . 100.24 93.42 2.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 10.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -69.61 133.17 47.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 10.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.693 HG13 ' O ' ' A' ' 13' ' ' VAL . 9.8 p -73.98 95.67 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 10.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.59 ' O ' HG22 ' A' ' 14' ' ' THR . 5.6 m -73.0 60.3 0.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.148 . . . . 10.0 110.4 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.903 ' CE1' HBB3 ' A' ' 128' ' ' HEC . 4.8 m-85 -47.38 173.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 10.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.591 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 18.1 m-20 -148.26 127.75 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 10.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -103.0 -47.85 4.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 10.0 109.618 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -90.18 -40.94 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -60.84 -31.55 70.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 10.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.438 ' ND1' ' HB2' ' A' ' 16' ' ' ASP . 8.8 m170 -84.25 -64.53 1.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 10.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 23' ' ' LYS . . . -39.35 -54.14 1.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 10.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -37.22 -31.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 10.0 110.29 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.2 mmtt -103.33 -47.84 4.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 10.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.885 HD22 HMC1 ' A' ' 98' ' ' HEC . 3.7 mp -75.71 -115.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 10.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 159.34 37.74 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.463 1.102 . . . . 10.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.615 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER 70.68 -54.48 0.65 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.282 -1.007 . . . . 10.0 108.282 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 25' ' ' GLY . 62.1 m-20 -60.94 68.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 10.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.639 ' HB3' HBC3 ' A' ' 98' ' ' HEC . . . -140.17 -59.37 0.54 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.566 1.166 . . . . 10.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.28 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.5 OUTLIER -113.11 -8.83 13.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 10.0 108.403 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -102.19 -171.77 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.614 1.196 . . . . 10.0 109.583 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 170.96 101.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 10.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.17 91.66 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 10.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 m 68.3 105.44 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 10.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.552 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.98 148.88 36.0 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 10.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.85 175.01 14.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -67.65 107.05 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.601 1.188 . . . . 10.0 109.291 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 38' ' ' ALA . 28.5 mt -73.18 164.96 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 10.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.494 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -100.04 90.53 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 10.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.895 HG23 ' HB2' ' A' ' 44' ' ' ALA . 39.1 mm -96.77 137.29 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 10.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 175.45 -75.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 10.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -133.21 142.46 48.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 10.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.07 -57.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.725 ' HA ' ' HB2' ' A' ' 48' ' ' ALA . 2.6 m -91.81 52.86 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 10.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.895 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -179.34 -36.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 10.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -103.97 2.7 32.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 10.0 109.606 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -123.05 -153.08 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 10.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -39.89 -38.46 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 10.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.725 ' HB2' ' HA ' ' A' ' 43' ' ' SER . . . -38.4 -48.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 10.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.631 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 61.9 m -113.07 -71.44 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 10.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.13 88.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 10.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' CYS . 7.0 t -173.27 -42.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.0 t -99.71 -40.35 7.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 10.0 108.314 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.415 ' C ' ' N ' ' A' ' 55' ' ' SER . 5.4 m170 -58.16 -24.35 58.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 10.0 109.575 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -46.76 -25.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 10.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 53' ' ' HIS . 8.4 t -105.72 -56.06 2.24 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.507 1.129 . . . . 10.0 110.059 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.658 ' CG ' HMD3 ' A' ' 128' ' ' HEC . 0.6 OUTLIER -86.72 133.88 33.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 10.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.2 t-20 77.22 176.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 10.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.77 84.73 0.37 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.504 1.127 . . . . 10.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.524 ' O ' ' CB ' ' A' ' 60' ' ' THR . 18.1 Cg_endo -75.1 -160.53 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 10.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.524 ' CB ' ' O ' ' A' ' 59' ' ' PRO . 2.3 m 84.47 -49.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 10.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.27 173.21 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 10.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.594 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 3.3 m -72.92 60.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 10.0 108.261 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' CYS . . . -146.09 -40.73 0.05 OUTLIER Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.542 1.151 . . . . 10.0 111.056 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 63' ' ' GLY . . . -32.13 -38.54 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.067 -0.813 . . . . 10.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.682 ' CB ' HMB3 ' A' ' 128' ' ' HEC . 0.8 OUTLIER -141.75 -61.56 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.317 -0.994 . . . . 10.0 108.317 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.488 ' CE1' ' O ' ' A' ' 11' ' ' GLY . 40.7 m-70 -51.4 149.38 4.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 10.0 109.593 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.8 mt -121.83 75.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 10.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 10.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.28 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.631 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.594 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.637 ' O ' HG23 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.346 -0.612 . . . . 10.0 109.346 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' ALA . 7.5 m-20 38.48 51.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 10.0 109.339 -179.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 3' ' ' VAL . 1.5 t 57.05 103.91 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 10.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 1' ' ' ALA . 2.3 t -114.42 151.4 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 10.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -125.05 99.0 5.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 10.0 110.427 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.55 ' CE1' HG11 ' A' ' 4' ' ' VAL . 4.3 m-30 -86.0 127.75 34.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 10.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -113.44 97.22 6.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 10.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.72 156.46 17.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 10.0 109.341 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -49.15 -54.16 17.63 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.486 1.116 . . . . 10.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.67 -64.65 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 10.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.98 -135.75 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.105 . . . . 10.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -139.62 139.07 36.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 10.0 109.218 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.936 HG23 ' HB2' ' A' ' 65' ' ' CYS . 3.4 p -109.54 -17.17 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 10.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.683 HG22 ' H ' ' A' ' 15' ' ' PHE . 7.0 m 46.43 -174.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 10.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.777 ' CZ ' HG21 ' A' ' 39' ' ' ILE . 26.4 m-85 -164.49 144.25 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 10.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.568 ' HB2' ' CG ' ' A' ' 20' ' ' HIS . 5.2 m-20 -129.36 117.34 20.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 10.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.565 ' CE1' ' NB ' ' A' ' 98' ' ' HEC . 8.5 t-80 -122.34 -65.46 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 10.0 109.589 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 3.9 tttt -65.18 -39.56 93.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.552 1.158 . . . . 10.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.5 -40.29 70.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 10.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.568 ' CG ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -68.29 -53.43 24.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 10.0 109.566 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.698 ' HB1' HBB2 ' A' ' 98' ' ' HEC . . . -42.94 -39.43 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 10.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 2.2 mt-10 -53.3 -47.65 69.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 10.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -85.22 -52.81 5.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 10.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.748 HD23 ' CB ' ' A' ' 28' ' ' ALA . 6.7 mp -63.27 -118.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 10.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 158.68 36.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 10.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.577 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER 67.41 -66.04 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.317 -0.994 . . . . 10.0 108.317 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 25' ' ' GLY . 3.0 p30 -39.97 -29.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 10.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.748 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -61.59 -43.95 97.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 10.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.316 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 72.2 m -98.21 -52.57 3.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 10.0 108.29 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 26' ' ' CYS . 8.4 m-70 -97.41 -169.9 1.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 10.0 109.632 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 177.63 104.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 10.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.82 -62.65 0.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 10.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 m -162.93 114.7 1.08 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 10.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.91 ' HG3' HMB3 ' A' ' 98' ' ' HEC . 18.3 Cg_endo -75.01 140.82 25.87 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.573 1.828 . . . . 10.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . -145.19 -48.85 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 10.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.478 ' CD ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -178.95 149.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 10.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.894 HD12 ' C1D' ' A' ' 98' ' ' HEC . 49.4 mt -113.0 -13.74 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 10.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.478 ' HB2' ' CD ' ' A' ' 36' ' ' LYS . . . 48.99 98.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 10.0 109.295 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.777 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 19.1 mm -105.29 126.63 60.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' LYS . 14.2 t0 -178.4 158.96 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 10.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 4.8 ttpt -39.46 140.0 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 10.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 0.9 OUTLIER 90.58 -58.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 10.0 109.275 179.961 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -72.39 -67.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 10.0 110.03 179.965 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.777 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -51.66 -21.63 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 10.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -86.34 6.4 30.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 10.0 109.579 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 43' ' ' SER . 19.4 mttt -125.53 -164.48 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 10.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' ALA . 16.0 m-20 -39.26 -33.86 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 10.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -37.45 -83.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 10.0 109.324 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.652 ' SG ' HMB1 ' A' ' 128' ' ' HEC . 9.4 t -95.91 -59.47 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 10.0 108.303 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 2.9 tptm -60.92 98.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 109.231 -179.916 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 52' ' ' CYS . 15.0 t -176.02 -51.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 10.0 110.364 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.448 ' N ' HG23 ' A' ' 51' ' ' THR . 1.8 t -76.56 176.26 8.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 10.0 108.298 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.523 ' CE1' ' NB ' ' A' ' 128' ' ' HEC . 13.5 m80 82.23 -49.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 10.0 109.589 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.513 ' HB3' HG21 ' A' ' 60' ' ' THR . 0.0 OUTLIER -84.24 64.05 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 10.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.3 t -171.22 -46.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 10.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -101.98 -57.72 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 10.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -178.69 117.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 10.0 109.36 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 151.41 157.4 7.86 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 10.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.409 ' CB ' ' HA2' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -74.92 177.69 8.22 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.551 1.817 . . . . 10.0 111.077 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.513 HG21 ' HB3' ' A' ' 54' ' ' LYS . 4.1 t -175.39 -36.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.485 1.115 . . . . 10.0 110.388 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 60' ' ' THR . 2.4 ptpt -36.91 -46.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 10.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.655 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 1.0 OUTLIER -162.74 -51.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 108.299 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.57 42.2 3.13 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.534 1.146 . . . . 10.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.409 ' HA2' ' CB ' ' A' ' 59' ' ' PRO . . . -77.33 -34.62 40.15 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.902 -0.879 . . . . 10.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.936 ' HB2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -130.92 -51.36 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 -179.91 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -53.88 117.77 3.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 10.0 109.518 -179.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' A' ' 67' ' ' ILE . 12.7 mm -109.7 120.64 61.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 10.0 109.242 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' ILE . 1.5 ttmp? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 10.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.316 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 0.84 HBC3 HMC1 ' A' ' 128' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.655 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.4 OUTLIER 82.91 -42.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 10.0 109.198 179.919 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 2' ' ' ASP . 2.3 t -153.81 105.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 10.0 109.333 -179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 4' ' ' VAL . 2.6 t -82.45 90.66 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 10.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -77.06 124.88 28.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 10.0 110.444 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.584 ' HB2' HG13 ' A' ' 13' ' ' VAL . 1.1 m-85 -113.88 123.89 50.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 10.0 110.959 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -87.8 128.83 35.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -141.19 174.14 10.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 12.83 25.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 10.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.9 72.09 1.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.425 1.078 . . . . 10.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.17 -127.12 7.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 10.0 111.045 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.24 120.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 10.0 109.39 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.678 HG11 HBD2 ' A' ' 158' ' ' HEC . 2.6 p -95.49 85.18 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 10.0 109.323 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 14' ' ' THR . 14.9 t -76.26 72.3 3.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 10.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.924 ' CE1' HBB2 ' A' ' 128' ' ' HEC . 1.9 t80 -47.24 176.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.374 1.046 . . . . 10.0 111.058 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.98 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -144.21 124.75 14.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 10.0 109.232 -179.981 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.27 -59.22 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 10.0 109.627 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -81.24 -40.7 23.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 10.0 109.256 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.98 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -57.0 -38.91 73.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 10.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.569 ' CE1' ' OD2' ' A' ' 16' ' ' ASP . 5.2 m170 -73.98 -65.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 109.534 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' C ' ' O ' ' A' ' 20' ' ' HIS . . . -34.39 -40.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 10.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.2 mm-40 -39.05 -45.77 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 10.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' HIS . 12.2 mmtt -97.64 -43.16 7.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.088 . . . . 10.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.983 HD22 HMC1 ' A' ' 98' ' ' HEC . 3.1 mp -73.3 -109.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 10.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.97 41.1 0.06 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 10.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER 70.9 -55.79 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.323 -0.991 . . . . 10.0 108.323 179.98 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.5 68.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 10.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.913 ' HB1' HBC2 ' A' ' 128' ' ' HEC . . . -141.02 -55.26 0.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 10.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.302 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 0.1 OUTLIER -112.91 -13.22 13.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 10.0 108.28 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.479 ' CE1' HD11 ' A' ' 37' ' ' ILE . 49.1 m-70 -103.71 -179.26 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 10.0 109.526 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -179.2 104.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 10.0 110.363 -179.96 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.44 88.87 0.1 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 10.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.5 m 70.49 104.44 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.738 . . . . 10.0 110.421 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.559 ' HB2' ' CHB' ' A' ' 98' ' ' HEC . 18.4 Cg_endo -74.91 136.13 20.18 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 10.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -151.65 157.92 42.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 10.0 109.276 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' N ' HAA1 ' A' ' 98' ' ' HEC . 0.0 OUTLIER -43.48 137.43 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 10.0 109.36 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.479 HD11 ' CE1' ' A' ' 30' ' ' HIS . 41.1 mt -111.69 161.85 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 10.0 109.281 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.425 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -93.33 87.12 5.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 10.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.992 HG23 ' HB2' ' A' ' 44' ' ' ALA . 4.5 mm -118.31 117.58 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 10.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -143.24 -73.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 10.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.619 ' HE3' HMA2 ' A' ' 158' ' ' HEC . 0.0 OUTLIER -171.39 72.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 10.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.76 -45.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 10.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.857 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -101.48 -38.67 7.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 10.0 109.999 -179.963 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.992 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -56.35 -17.52 8.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 10.0 109.266 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -102.71 4.73 38.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 10.0 109.619 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.32 -154.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 10.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 48' ' ' ALA . 3.5 p-10 -47.14 -36.06 7.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 10.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.857 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -35.86 -47.06 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 10.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.603 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 57.5 m -121.4 -110.85 0.33 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 1.165 . . . . 10.0 108.255 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.555 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER 27.35 -124.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 10.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 50' ' ' LYS . 44.7 m 33.41 -99.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 10.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 1.444 ' SG ' ' CAC' ' A' ' 128' ' ' HEC . 1.9 t -41.2 -70.14 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 10.0 108.316 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.472 ' CE1' ' C1B' ' A' ' 128' ' ' HEC . 0.5 OUTLIER -38.15 -37.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 10.0 109.584 179.964 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' THR . 2.3 mtpt -85.2 51.74 2.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 10.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -149.67 -68.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 10.0 110.021 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -76.79 -68.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 10.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -89.56 175.24 7.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 10.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -128.69 76.07 0.41 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.456 1.097 . . . . 10.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.481 ' O ' ' C ' ' A' ' 60' ' ' THR . 18.3 Cg_endo -75.08 3.83 5.31 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 10.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 59' ' ' PRO . 68.4 m -32.36 -66.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 10.0 110.451 179.914 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 139.98 58.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 10.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.586 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 77.2 m -44.47 -51.63 8.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 10.0 108.282 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -42.04 -27.59 0.41 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.455 1.097 . . . . 10.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 59' ' ' PRO . . . -52.68 -85.08 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.852 . . . . 10.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.427 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 36.7 m -68.18 -59.81 2.94 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.368 -0.975 . . . . 10.0 108.368 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -70.71 101.69 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 10.0 109.587 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.7 mm -72.71 76.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.406 1.066 . . . . 10.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 10.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.302 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.603 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.586 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 164.87 -48.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 10.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 4' ' ' VAL . 2.4 t -143.47 163.14 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 10.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.509 ' CG1' ' CE2' ' A' ' 6' ' ' TYR . 9.9 t -133.93 104.17 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.579 1.174 . . . . 10.0 109.281 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.6 m -122.59 116.39 23.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 10.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.52 ' HB2' HG12 ' A' ' 13' ' ' VAL . 37.7 m-85 -113.53 133.12 55.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.03 118.81 18.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 10.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -104.59 -175.8 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 10.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -69.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 10.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.95 57.78 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 10.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 139.45 -155.65 24.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 10.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -177.66 114.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.774 . . . . 10.0 109.305 179.931 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.579 HG22 ' H ' ' A' ' 15' ' ' PHE . 10.9 p -52.5 146.48 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 10.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 15' ' ' PHE . 33.5 m -119.48 26.79 9.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 10.0 110.426 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.579 ' H ' HG22 ' A' ' 13' ' ' VAL . 3.1 t80 -40.96 164.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 10.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.585 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -137.22 163.29 31.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 10.0 109.297 179.955 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.47 -49.44 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 10.0 109.611 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 -41.06 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 10.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -59.44 -32.36 70.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 10.0 109.325 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.481 ' CE1' ' C1A' ' A' ' 128' ' ' HEC . 1.0 OUTLIER -82.95 -61.79 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 10.0 109.675 179.955 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.502 ' HB2' ' HHC' ' A' ' 98' ' ' HEC . . . -45.12 -27.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 10.0 109.235 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 20' ' ' HIS . 1.5 mm-40 -42.32 -48.7 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 10.0 110.235 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -103.06 -28.86 11.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 10.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.595 HD23 HBC2 ' A' ' 128' ' ' HEC . 4.8 mp -88.43 -113.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 10.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.47 175.91 28.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 10.0 110.974 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.371 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.0 OUTLIER -83.3 4.03 28.89 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.251 -1.018 . . . . 10.0 108.251 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.96 11.46 25.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 10.0 109.245 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.99 -57.75 2.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 10.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.33 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 3.6 m -90.99 -31.42 16.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 10.0 108.343 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -101.78 -164.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 10.0 109.591 179.982 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 179.76 85.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 10.0 110.259 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.39 91.74 0.68 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.591 1.182 . . . . 10.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 62.1 m 63.49 104.99 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 10.0 110.429 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.575 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 18.1 Cg_endo -75.01 -166.68 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 10.0 110.957 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 36' ' ' LYS . . . 175.7 -52.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 10.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER 178.96 160.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 10.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.623 HD12 ' C2D' ' A' ' 98' ' ' HEC . 2.6 mt -127.7 1.74 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 10.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 43.2 93.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 10.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.87 HG23 ' HB2' ' A' ' 44' ' ' ALA . 8.2 mm -104.7 128.51 58.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 10.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 42' ' ' LYS . 4.0 m-20 -152.78 163.13 40.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 10.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HG2' ' CAA' ' A' ' 158' ' ' HEC . 0.0 OUTLIER -70.25 58.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 10.0 109.239 -179.961 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -151.09 -49.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 10.0 109.311 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.751 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -107.97 -36.35 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 10.0 109.96 -179.978 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.87 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -57.03 -18.3 13.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 10.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -101.19 3.57 41.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 10.0 109.583 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 1.3 tttp -111.16 -161.55 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 10.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HA ' ' CB ' ' A' ' 51' ' ' THR . 45.3 t0 -42.82 -27.91 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 10.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -41.72 -58.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 10.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.486 ' O ' ' C ' ' A' ' 50' ' ' LYS . 81.1 m -118.52 -52.67 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 10.0 108.275 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -33.25 -78.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 10.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.516 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . 2.1 m -32.76 -63.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 10.0 110.477 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -39.72 -77.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 10.0 108.265 179.957 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.436 ' CE1' ' CHB' ' A' ' 128' ' ' HEC . 4.1 m170 -43.04 -40.99 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 10.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.78 74.2 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 10.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.3 t -176.01 -62.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 10.0 110.025 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -106.35 -58.6 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 10.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -41.37 122.08 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 10.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.45 ' O ' HG23 ' A' ' 60' ' ' THR . . . -57.4 -64.94 3.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.574 1.171 . . . . 10.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.43 ' HB2' ' CA ' ' A' ' 64' ' ' GLY . 18.3 Cg_endo -74.98 96.25 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.792 . . . . 10.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 58' ' ' GLY . 33.1 p -97.75 31.94 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 10.0 110.357 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 62' ' ' CYS . 0.1 OUTLIER -155.59 -162.77 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 10.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.649 ' SG ' ' HAB' ' A' ' 158' ' ' HEC . 12.8 m -46.94 125.78 7.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 10.0 108.306 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.85 -21.1 37.11 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.553 1.158 . . . . 10.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 59' ' ' PRO . . . -75.76 -27.5 62.76 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.011 -0.835 . . . . 10.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.0 m -126.56 -74.01 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.27 -1.011 . . . . 10.0 108.27 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -59.32 148.08 33.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 10.0 109.576 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.1 mt -125.16 88.31 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.601 1.188 . . . . 10.0 109.228 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.458 1.099 . . . . 10.0 109.26 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.371 ' CAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 0.595 HBC2 HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.649 ' HAB' ' SG ' ' A' ' 62' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -119.2 -48.04 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 10.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 80.5 t -129.99 110.76 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 10.0 109.363 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' PHE . 71.0 t -98.71 125.55 52.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 10.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.1 m -131.96 122.88 26.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 10.0 110.399 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.46 ' HB2' ' CG1' ' A' ' 13' ' ' VAL . 26.6 m-85 -113.15 117.18 31.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 10.0 110.999 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.39 106.9 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 10.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -98.04 -177.94 3.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 10.0 109.228 -179.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -64.12 -68.76 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 10.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -137.22 77.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 10.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.99 -38.41 0.04 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.53 1.144 . . . . 10.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 41.39 88.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 10.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 6' ' ' TYR . 7.5 p -84.45 121.83 37.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 10.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.5 m -104.63 63.3 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 10.0 110.377 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.773 ' CE1' HBB2 ' A' ' 128' ' ' HEC . 0.7 OUTLIER -53.02 171.32 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 10.0 111.033 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.868 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 7.1 m-20 -146.18 140.33 26.54 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 10.0 109.305 -179.925 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -104.28 -53.92 2.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 10.0 109.582 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -81.76 -43.54 18.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 10.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.868 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -57.52 -36.46 71.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 10.0 109.304 -179.917 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.548 ' CD2' ' ND ' ' A' ' 128' ' ' HEC . 6.2 m170 -78.4 -64.54 1.15 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 10.0 109.582 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.61 ' HB2' ' HHC' ' A' ' 98' ' ' HEC . . . -42.27 -46.9 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 10.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.11 -28.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 10.0 110.346 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.619 ' C ' HD23 ' A' ' 24' ' ' LEU . 69.6 mmtt -112.89 -20.05 11.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 10.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.846 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.08 -124.56 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 10.0 109.269 179.952 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 27' ' ' ASP . . . 169.3 36.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 10.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.374 ' SG ' ' CAB' ' A' ' 98' ' ' HEC . 0.0 OUTLIER 65.62 -68.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.292 -1.003 . . . . 10.0 108.292 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 25' ' ' GLY . 81.9 m-20 -35.21 -33.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 10.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.911 ' HB1' HBC2 ' A' ' 128' ' ' HEC . . . -40.99 -41.39 1.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 10.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.279 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 3.4 m -110.71 -58.62 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 10.0 108.272 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.667 ' CG ' ' HB3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -85.14 -159.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 10.0 109.6 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.14 122.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 10.0 110.287 -179.912 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.6 -58.5 0.93 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 10.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 m -141.87 106.84 5.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 10.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.728 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 18.4 Cg_endo -75.01 -91.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.524 1.802 . . . . 10.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 34' ' ' PRO . . . 88.37 -55.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 10.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -178.18 175.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 10.0 109.274 179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.886 HD12 ' C2D' ' A' ' 98' ' ' HEC . 3.5 mt -138.21 164.84 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 10.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.76 80.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.822 HG23 ' HB2' ' A' ' 44' ' ' ALA . 12.3 mm -107.56 123.5 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 10.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' LYS . 40.3 p30 -161.13 171.44 18.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 10.0 109.386 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 68.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 10.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -173.26 -46.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 10.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.657 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 69.6 m -106.74 -34.0 7.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 10.0 109.952 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.822 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -58.64 -17.39 21.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 10.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -102.11 2.28 37.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 10.0 109.594 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.4 -155.13 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 10.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -44.43 -29.54 0.71 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.467 1.104 . . . . 10.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -41.34 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 10.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.48 ' SG ' ' CAB' ' A' ' 128' ' ' HEC . 88.0 m -92.7 -74.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 10.0 108.345 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.99 100.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 10.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 174.08 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 10.0 110.375 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 1.45 ' SG ' ' HAC' ' A' ' 128' ' ' HEC . 0.7 OUTLIER -82.24 -42.79 18.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 10.0 108.35 179.995 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.401 ' C ' ' N ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -45.73 -27.53 0.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 10.0 109.574 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -46.19 -25.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 53' ' ' HIS . 16.4 m -97.34 -51.36 4.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.17 . . . . 10.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.883 ' CG ' HMD3 ' A' ' 128' ' ' HEC . 4.8 m120 -97.13 124.89 41.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 10.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 51.0 m-80 64.36 -72.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 10.0 109.264 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' ASN . . . 60.35 99.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.469 1.106 . . . . 10.0 111.087 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.568 ' HG2' HBC3 ' A' ' 158' ' ' HEC . 18.4 Cg_endo -74.95 163.71 34.87 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.531 1.806 . . . . 10.0 111.059 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 59' ' ' PRO . 1.1 m -175.04 -37.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 10.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.38 20.63 3.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 10.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.2 t 77.99 -58.87 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 10.0 108.337 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.88 48.77 3.95 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 10.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.21 -43.17 3.83 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.004 -0.838 . . . . 10.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.4 ' SG ' ' CAC' ' A' ' 158' ' ' HEC . 7.6 p -115.88 -41.31 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.274 -1.01 . . . . 10.0 108.274 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -64.55 169.22 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 10.0 109.617 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 91.5 mt -118.41 92.14 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 10.0 109.366 179.951 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 10.0 109.325 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.374 ' CAB' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.48 ' CAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.4 ' CAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.585 ' HB1' ' HB3' ' A' ' 18' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.318 -0.623 . . . . 10.0 109.318 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.719 ' HB3' ' CB ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -114.59 -11.95 12.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.383 1.052 . . . . 10.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 16' ' ' ASP . 5.8 m -37.05 151.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' THR . 11.9 t -121.99 69.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 10.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' VAL . 34.3 m -36.88 121.23 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 10.0 110.398 -179.932 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -130.11 95.11 3.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 10.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -69.78 156.41 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 10.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 11' ' ' GLY . 5.9 p30 -159.32 170.83 20.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 10.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -60.5 -49.56 77.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.426 1.079 . . . . 10.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 10.0 109.351 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 8' ' ' ASN . . . -136.72 -101.26 0.59 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.439 1.087 . . . . 10.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -160.68 124.33 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 10.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 13' ' ' VAL . 7.5 p -104.2 43.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 10.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.3 m -42.24 99.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 10.0 110.42 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.748 ' CZ ' HBB3 ' A' ' 128' ' ' HEC . 1.2 m-85 -56.6 -166.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 10.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.583 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 7.6 m-20 -163.55 94.29 0.78 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 10.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.719 ' CB ' ' HB3' ' A' ' 2' ' ' ASP . 0.4 OUTLIER -88.98 -38.24 14.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.583 1.177 . . . . 10.0 109.631 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.648 ' N ' ' HB3' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -61.91 -79.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 10.0 109.274 -179.942 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.608 ' HB1' ' O2D' ' A' ' 128' ' ' HEC . . . -37.64 -48.21 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 10.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 16' ' ' ASP . 3.2 m80 -63.31 -67.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 10.0 109.577 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 17' ' ' HIS . . . -40.59 -34.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 10.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 1.3 mm-40 -61.0 -46.72 89.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 10.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 20' ' ' HIS . 2.3 mmtp -88.72 -52.66 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 10.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.852 HD22 HMC1 ' A' ' 98' ' ' HEC . 3.0 mp -67.69 -112.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 10.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.459 ' C ' ' SG ' ' A' ' 26' ' ' CYS . . . 148.44 42.48 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.53 1.143 . . . . 10.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.717 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 70.51 -53.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.378 -0.971 . . . . 10.0 108.378 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 25' ' ' GLY . 1.1 m-20 -57.7 66.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 10.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.717 ' N ' ' O ' ' A' ' 26' ' ' CYS . . . -150.64 -45.3 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 10.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.289 ' SG ' ' CAC' ' A' ' 98' ' ' HEC . 75.2 m -104.91 -24.91 12.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 10.0 108.321 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.6 ' CD2' ' HB3' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -99.29 -171.84 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 10.0 109.66 179.917 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.7 57.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 10.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.0 99.06 2.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 10.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.7 m 68.93 104.5 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.44 0.729 . . . . 10.0 110.399 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.6 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 18.2 Cg_endo -75.0 -179.07 4.63 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.454 1.765 . . . . 10.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 173.52 -49.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.481 1.113 . . . . 10.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER 178.44 172.67 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 10.0 109.299 -179.921 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.902 HD12 ' C2D' ' A' ' 98' ' ' HEC . 1.7 mt -148.48 151.07 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 10.0 109.306 179.942 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.45 96.16 8.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 10.0 109.329 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.644 HG13 HMD1 ' A' ' 98' ' ' HEC . 37.7 mm -112.74 104.57 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 10.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' LYS . 9.5 p30 -159.09 -177.48 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 10.0 109.357 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -68.88 67.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 10.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' ASP . 76.6 tttt -168.64 -56.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 10.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.896 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -102.22 -33.44 9.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 10.0 109.996 179.983 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.469 ' HB2' HG23 ' A' ' 39' ' ' ILE . . . -64.68 -10.34 26.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 10.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.46 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 6.2 m170 -119.91 7.56 10.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 10.0 109.535 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.521 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -143.3 -124.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 10.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.564 ' O ' ' C ' ' A' ' 48' ' ' ALA . 16.9 m-20 -31.48 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 10.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.896 ' HB3' ' O ' ' A' ' 43' ' ' SER . . . -26.25 -74.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 10.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 1.6 ' SG ' ' HAB' ' A' ' 128' ' ' HEC . 60.6 m -96.99 -133.04 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 10.0 108.302 179.931 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER 34.74 36.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 10.0 109.251 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 49' ' ' CYS . 1.5 p -132.83 -106.12 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.579 1.175 . . . . 10.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.538 ' O ' ' CD2' ' A' ' 53' ' ' HIS . 2.4 t -64.36 102.44 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 10.0 108.314 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 0.4 OUTLIER 168.45 -44.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 10.0 109.591 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.51 ' HG3' HG21 ' A' ' 60' ' ' THR . 1.0 OUTLIER -81.31 66.31 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 10.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.26 -54.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.107 . . . . 10.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -123.71 -71.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 10.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -124.96 101.65 7.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 10.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.5 89.22 0.11 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.542 1.151 . . . . 10.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 53.54 3.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 10.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.51 HG21 ' HG3' ' A' ' 54' ' ' LYS . 5.7 t -90.05 45.17 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 10.0 110.441 179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -119.13 37.41 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 10.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 1.458 ' SG ' ' CAB' ' A' ' 158' ' ' HEC . 2.2 t 74.39 147.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 10.0 108.332 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' GLY . . . 75.83 -52.3 2.81 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 10.0 110.987 -179.942 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLY . . . -34.64 -67.72 0.25 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.005 -0.838 . . . . 10.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.471 ' SG ' ' HAC' ' A' ' 158' ' ' HEC . 2.4 m -68.83 -59.69 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.283 -1.006 . . . . 10.0 108.283 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 68' ' ' LYS . 83.9 m-70 -73.94 96.09 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 10.0 109.554 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.0 mm -63.93 81.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 10.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 66' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 10.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 188' ' ' ' CR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' HEC . . . . . 1.289 ' CAC' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 128' ' ' HEC . . . . . 1.6 ' HAB' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 158' ' ' HEC . . . . . 1.471 ' HAC' ' SG ' ' A' ' 65' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_